============================================================================= 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. PHE 9 1.000 -10.755 21.074 10.167 -99.200 -91.000 HIS 48 0.900 17.466 -6.389 8.132 -99.200 -91.000 TYR 50 0.840 11.697 -3.102 14.933 -99.200 -91.000 PHE 82 1.000 11.073 27.579 0.170 -99.200 -91.000 TYR 106 0.840 3.722 29.814 11.572 -99.200 -91.000 PHE 110 1.000 11.580 18.283 15.127 -99.200 -91.000 PHE 129 1.000 2.362 18.703 15.166 -99.200 -91.000 TYR 132 0.840 5.781 27.916 21.183 -99.200 -91.000 TYR 157 0.840 -1.600 13.116 19.872 -99.200 -91.000 TYR 160 0.840 4.276 7.635 13.450 -99.200 -91.000 PHE 177 1.000 -7.404 16.696 10.402 -99.200 -91.000 PHE 186 1.000 -1.486 12.130 7.861 -99.200 -91.000 TYR 202 0.840 -4.587 4.115 38.472 -99.200 -91.000 TYR 208 0.840 9.686 5.570 37.559 -99.200 -91.000 PHE 212 1.000 4.614 7.264 41.829 -99.200 -91.000 TYR 219 0.840 -5.684 10.875 41.387 -99.200 -91.000 PHE 225 1.000 -7.642 -0.492 48.332 -99.200 -91.000 TYR 233 0.840 -11.083 7.043 38.295 -99.200 -91.000 TYR 237 0.840 3.132 4.453 32.216 -99.200 -91.000 HIS 246 0.900 -5.707 9.441 20.021 -99.200 -91.000 TYR 251 0.840 -10.947 4.462 25.048 -99.200 -91.000 PHE 255 1.000 0.909 10.225 30.658 -99.200 -91.000 TYR 257 0.840 7.537 9.903 33.817 -99.200 -91.000 TYR 272 0.840 12.041 18.065 23.226 -99.200 -91.000 TYR 279 0.840 -2.482 24.921 21.620 -99.200 -91.000 HIS 304 0.900 17.407 19.548 24.243 -99.200 -91.000 TYR 324 0.840 0.959 17.224 43.576 -99.200 -91.000 HIS 327 0.900 -0.407 15.167 51.098 -99.200 -91.000