============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. HIS 1 0.900 45.196 -14.064 25.292 -99.200 -91.000 TRP 22 1.040 47.055 -0.940 21.921 -99.200 -91.000 TRP6 22 1.020 45.836 0.336 20.350 -99.200 -91.000 TRP 30 1.040 42.715 -1.814 24.384 -99.200 -91.000 TRP6 30 1.020 44.601 -1.039 25.596 -99.200 -91.000 TYR 33 0.840 42.672 12.192 25.355 -99.200 -91.000 TYR 50 0.840 42.267 0.889 4.761 -99.200 -91.000 PHE 61 1.000 42.047 -9.077 13.633 -99.200 -91.000 TYR 66 0.840 49.362 -8.989 5.657 -99.200 -91.000 HIS 74 0.900 39.937 -12.059 10.981 -99.200 -91.000 PHE 77 1.000 38.274 2.787 10.324 -99.200 -91.000 HIS 80 0.900 32.587 12.976 8.467 -99.200 -91.000 PHE 86 1.000 26.704 2.982 2.750 -99.200 -91.000 HIS 110 0.900 14.588 -5.908 9.449 -99.200 -91.000 TYR 124 0.840 13.681 6.353 0.248 -99.200 -91.000 TYR 127 0.840 13.051 10.979 4.015 -99.200 -91.000 PHE 158 1.000 24.129 15.042 28.055 -99.200 -91.000 TYR 175 0.840 26.959 -9.473 19.057 -99.200 -91.000 TYR 181 0.840 34.313 6.386 21.742 -99.200 -91.000 HIS 184 0.900 40.765 14.721 18.870 -99.200 -91.000 PHE 185 1.000 36.553 17.377 23.214 -99.200 -91.000 PHE 193 1.000 34.572 1.758 24.718 -99.200 -91.000 PHE 221 1.000 48.650 12.744 26.492 -99.200 -91.000 PHE 222 1.000 46.163 17.044 27.617 -99.200 -91.000 TRP 231 1.040 29.974 14.142 40.437 -99.200 -91.000 TRP6 231 1.020 28.306 15.141 39.091 -99.200 -91.000 PHE 235 1.000 37.471 8.780 34.144 -99.200 -91.000