============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 6 0.840 8.631 -11.746 -25.626 -99.200 -91.000 TYR 11 0.840 6.798 -12.399 -32.263 -99.200 -91.000 HIS 38 0.900 -1.150 7.140 -21.488 -99.200 -91.000 PHE 45 1.000 -7.817 -6.336 -15.132 -99.200 -91.000 PHE 49 1.000 -10.086 -0.016 -19.561 -99.200 -91.000 PHE 53 1.000 -3.420 -2.238 -14.570 -99.200 -91.000 PHE 88 1.000 -5.471 -15.281 -24.381 -99.200 -91.000 HIS 107 0.900 2.748 -18.724 -18.161 -99.200 -91.000 TRP 112 1.040 12.382 -9.531 -13.968 -99.200 -91.000 TRP6 112 1.020 13.002 -7.287 -13.544 -99.200 -91.000 TYR 136 0.840 13.422 -6.116 -8.461 -99.200 -91.000 TYR 167 0.840 -6.293 -22.719 -8.447 -99.200 -91.000 TYR 169 0.840 -0.100 -19.395 -8.796 -99.200 -91.000 TYR 174 0.840 0.803 -14.925 -7.746 -99.200 -91.000 PHE 175 1.000 3.011 -11.192 -6.271 -99.200 -91.000 TYR 180 0.840 9.615 -19.604 -2.669 -99.200 -91.000 HIS 212 0.900 6.841 -15.305 7.937 -99.200 -91.000 PHE 214 1.000 4.308 -12.760 1.840 -99.200 -91.000 PHE 217 1.000 -11.246 -13.521 -1.890 -99.200 -91.000 TRP 238 1.040 -6.756 -20.248 7.589 -99.200 -91.000 TRP6 238 1.020 -5.355 -19.883 5.724 -99.200 -91.000 HIS 248 0.900 4.629 -14.874 11.775 -99.200 -91.000 TYR 250 0.840 2.581 -11.785 6.519 -99.200 -91.000 TRP 264 1.040 3.492 -1.247 -10.252 -99.200 -91.000 TRP6 264 1.020 1.228 -1.105 -10.929 -99.200 -91.000 PHE 269 1.000 6.092 -11.223 -2.711 -99.200 -91.000