============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 19 0.840 -8.857 7.196 40.216 -99.200 -91.000 HIS 23 0.900 -4.498 7.957 42.532 -99.200 -91.000 PHE 32 1.000 3.453 11.691 49.524 -99.200 -91.000 PHE 41 1.000 0.194 8.876 39.506 -99.200 -91.000 TRP 47 1.040 -7.903 7.943 50.590 -99.200 -91.000 TRP6 47 1.020 -9.945 8.991 51.252 -99.200 -91.000 PHE 57 1.000 -14.888 4.603 56.256 -99.200 -91.000 HIS 67 0.900 -6.198 12.275 77.049 -99.200 -91.000 PHE 68 1.000 -6.492 11.408 68.120 -99.200 -91.000 HIS 79 0.900 -5.423 16.793 38.172 -99.200 -91.000 TRP 82 1.040 -10.266 22.347 46.819 -99.200 -91.000 TRP6 82 1.020 -9.058 23.084 44.899 -99.200 -91.000 TYR 86 0.840 -12.830 17.884 58.165 -99.200 -91.000 TYR 90 0.840 -15.134 11.423 69.868 -99.200 -91.000 TRP 97 1.040 -16.954 3.717 65.906 -99.200 -91.000 TRP6 97 1.020 -15.161 4.934 64.972 -99.200 -91.000 TYR 100 0.840 -15.578 18.020 67.033 -99.200 -91.000 PHE 120 1.000 -10.284 17.954 67.187 -99.200 -91.000 HIS 132 0.900 -17.149 9.048 58.374 -99.200 -91.000 TYR 136 0.840 -17.025 15.093 45.981 -99.200 -91.000 HIS 139 0.900 -11.529 11.399 42.937 -99.200 -91.000 TRP 144 1.040 -5.253 12.352 57.291 -99.200 -91.000 TRP6 144 1.020 -6.819 11.567 58.890 -99.200 -91.000 TYR 147 0.840 -0.778 18.561 64.286 -99.200 -91.000 TYR 154 0.840 1.006 10.986 85.041 -99.200 -91.000 HIS 183 0.900 18.864 -7.069 99.127 -99.200 -91.000 PHE 186 1.000 12.416 -5.286 93.327 -99.200 -91.000 PHE 190 1.000 10.825 -3.773 88.723 -99.200 -91.000 HIS 206 0.900 5.202 -5.142 126.591 -99.200 -91.000 TRP 214 1.040 4.669 -0.066 114.561 -99.200 -91.000 TRP6 214 1.020 4.124 0.308 112.271 -99.200 -91.000 PHE 226 1.000 12.249 -3.785 98.950 -99.200 -91.000 PHE 230 1.000 11.005 -5.399 108.727 -99.200 -91.000 TRP 233 1.040 12.147 5.970 118.339 -99.200 -91.000 TRP6 233 1.020 10.758 5.264 116.532 -99.200 -91.000 TYR 239 0.840 7.244 -12.788 119.459 -99.200 -91.000 PHE 243 1.000 6.508 -2.335 107.274 -99.200 -91.000 TYR 245 0.840 8.135 -6.218 97.424 -99.200 -91.000 PHE 250 1.000 6.444 5.534 88.085 -99.200 -91.000