============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 12 1.000 18.055 -22.211 -20.631 -99.200 -91.000 TRP 14 1.040 14.087 -17.386 -22.600 -99.200 -91.000 TRP6 14 1.020 15.037 -18.171 -24.620 -99.200 -91.000 PHE 25 1.000 11.894 -10.463 -5.583 -99.200 -91.000 TRP 35 1.040 5.680 -3.489 -21.338 -99.200 -91.000 TRP6 35 1.020 4.332 -3.172 -19.420 -99.200 -91.000 HIS 41 0.900 4.794 -16.588 -6.102 -99.200 -91.000 HIS 55 0.900 26.375 -18.257 -16.706 -99.200 -91.000 HIS 62 0.900 32.909 -6.551 -17.589 -99.200 -91.000 HIS 75 0.900 -5.425 -12.005 -14.930 -99.200 -91.000 HIS 76 0.900 -8.033 -8.989 -15.338 -99.200 -91.000 PHE 78 1.000 -1.590 -13.189 -7.070 -99.200 -91.000 TYR 85 0.840 -0.697 -20.675 -3.330 -99.200 -91.000 HIS 87 0.900 -7.130 -15.865 -12.399 -99.200 -91.000 TYR 103 0.840 26.108 -12.882 -23.940 -99.200 -91.000 TYR 114 0.840 -0.258 -23.203 -33.822 -99.200 -91.000 PHE 118 1.000 4.174 -23.912 -30.277 -99.200 -91.000 PHE 121 1.000 5.260 -29.272 -29.674 -99.200 -91.000 TYR 125 0.840 14.886 -28.015 -21.811 -99.200 -91.000 TRP 129 1.040 20.733 -17.037 -11.284 -99.200 -91.000 TRP6 129 1.020 19.639 -15.933 -13.037 -99.200 -91.000 PHE 133 1.000 21.403 -29.709 -2.812 -99.200 -91.000 HIS 134 0.900 12.015 -28.618 1.344 -99.200 -91.000 TYR 144 0.840 19.910 -26.675 -18.774 -99.200 -91.000 PHE 161 1.000 -2.163 -26.754 -0.066 -99.200 -91.000 PHE 168 1.000 2.199 -26.005 -17.175 -99.200 -91.000 PHE 172 1.000 11.808 -35.604 -14.502 -99.200 -91.000 HIS 173 0.900 4.696 -39.736 -13.224 -99.200 -91.000 HIS 188 0.900 6.748 -25.530 -18.934 -99.200 -91.000 PHE 197 1.000 6.912 -20.081 -30.299 -99.200 -91.000 TRP 204 1.040 0.561 -23.353 -6.864 -99.200 -91.000 TRP6 204 1.020 -0.231 -25.266 -5.697 -99.200 -91.000 TYR 214 0.840 3.589 -35.128 -10.207 -99.200 -91.000 TYR 217 0.840 6.096 -25.532 -13.564 -99.200 -91.000 TYR 223 0.840 -3.570 -16.185 -16.906 -99.200 -91.000 TRP 226 1.040 -3.539 -9.256 -18.355 -99.200 -91.000 TRP6 226 1.020 -1.529 -9.898 -17.317 -99.200 -91.000