============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 35 1.000 46.314 -21.199 10.559 -99.200 -91.000 PHE 56 1.000 44.689 -26.550 10.523 -99.200 -91.000 HIS 59 0.900 37.209 -25.190 16.481 -99.200 -91.000 TRP 67 1.040 34.016 -24.431 19.506 -99.200 -91.000 TRP6 67 1.020 35.018 -22.315 19.359 -99.200 -91.000 PHE 104 1.000 16.574 -20.762 8.737 -99.200 -91.000 PHE 116 1.000 24.798 -21.073 23.414 -99.200 -91.000 TRP 142 1.040 22.519 -4.002 8.386 -99.200 -91.000 TRP6 142 1.020 21.973 -2.391 6.775 -99.200 -91.000 TYR 148 0.840 23.194 -15.414 -0.887 -99.200 -91.000 TYR 151 0.840 25.397 -15.455 5.221 -99.200 -91.000 TYR 174 0.840 32.610 -12.777 33.917 -99.200 -91.000 HIS 182 0.900 26.625 -6.937 11.666 -99.200 -91.000 TYR 187 0.840 37.742 -10.630 -6.259 -99.200 -91.000 HIS 206 0.900 33.024 1.430 -3.823 -99.200 -91.000 TYR 217 0.840 33.026 -3.127 -0.366 -99.200 -91.000 PHE 228 1.000 39.370 0.427 16.588 -99.200 -91.000 HIS 243 0.900 25.836 -1.764 10.501 -99.200 -91.000