============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 5 1.000 12.386 20.438 33.432 -99.200 -91.000 PHE 7 1.000 12.566 18.631 23.795 -99.200 -91.000 PHE 22 1.000 10.640 19.293 -0.492 -99.200 -91.000 TYR 23 0.840 7.280 13.144 4.749 -99.200 -91.000 PHE 29 1.000 -1.053 17.338 11.734 -99.200 -91.000 TYR 46 0.840 -5.049 -4.235 31.432 -99.200 -91.000 HIS 62 0.900 -14.825 12.511 24.672 -99.200 -91.000 PHE 103 1.000 11.795 8.215 12.030 -99.200 -91.000 PHE 119 1.000 11.375 3.149 13.308 -99.200 -91.000 PHE 123 1.000 4.482 15.334 21.541 -99.200 -91.000 TYR 124 0.840 9.389 14.071 20.416 -99.200 -91.000 TYR 127 0.840 7.613 20.271 17.809 -99.200 -91.000 HIS 139 0.900 -1.468 8.986 35.823 -99.200 -91.000 TYR 145 0.840 2.482 18.341 36.664 -99.200 -91.000 TRP 147 1.040 6.636 18.915 27.287 -99.200 -91.000 TRP6 147 1.020 6.484 19.291 24.959 -99.200 -91.000 PHE 155 1.000 11.349 19.190 28.306 -99.200 -91.000 HIS 174 0.900 0.281 27.413 20.338 -99.200 -91.000 TYR 182 0.840 -2.289 20.137 7.622 -99.200 -91.000 HIS 195 0.900 -3.185 8.894 6.289 -99.200 -91.000 PHE 198 1.000 -11.527 0.639 9.255 -99.200 -91.000 TYR 201 0.840 -10.939 4.198 22.707 -99.200 -91.000 PHE 206 1.000 -15.484 20.228 19.911 -99.200 -91.000