============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 33 0.840 9.074 -15.235 51.662 -99.200 -91.000 TRP 36 1.040 19.370 -7.214 53.942 -99.200 -91.000 TRP6 36 1.020 19.522 -5.157 55.104 -99.200 -91.000 HIS 43 0.900 21.126 4.809 37.174 -99.200 -91.000 PHE 45 1.000 19.663 0.659 43.043 -99.200 -91.000 PHE 63 1.000 28.442 -7.947 50.696 -99.200 -91.000 TYR 87 0.840 25.715 -2.129 51.382 -99.200 -91.000 PHE 88 1.000 18.519 2.236 48.565 -99.200 -91.000 TRP 92 1.040 5.265 -10.700 50.297 -99.200 -91.000 TRP6 92 1.020 4.470 -9.517 48.406 -99.200 -91.000 TYR 93 0.840 5.674 -6.206 57.916 -99.200 -91.000 HIS 96 0.900 2.655 -2.220 48.351 -99.200 -91.000 TRP 97 1.040 8.294 -7.555 46.869 -99.200 -91.000 TRP6 97 1.020 9.806 -8.540 48.387 -99.200 -91.000 PHE 99 1.000 12.558 -1.543 47.150 -99.200 -91.000 PHE 120 1.000 31.849 30.830 44.518 -99.200 -91.000 PHE 141 1.000 31.252 16.128 51.241 -99.200 -91.000 TYR 142 0.840 36.289 8.492 52.621 -99.200 -91.000 TRP 150 1.040 21.742 27.270 52.279 -99.200 -91.000 TRP6 150 1.020 23.099 28.795 51.085 -99.200 -91.000 TYR 174 0.840 31.825 10.106 48.611 -99.200 -91.000 TYR 179 0.840 22.777 25.399 43.130 -99.200 -91.000 TRP 187 1.040 21.269 40.802 47.094 -99.200 -91.000 TRP6 187 1.020 22.857 39.396 48.163 -99.200 -91.000 HIS 190 0.900 16.260 39.092 55.157 -99.200 -91.000 TYR 193 0.840 21.950 37.158 52.198 -99.200 -91.000 HIS 199 0.900 32.983 15.193 56.934 -99.200 -91.000 HIS 202 0.900 34.401 21.443 62.430 -99.200 -91.000