============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 3 1.000 12.974 -14.764 -8.753 -99.200 -91.000 TYR 11 0.840 31.591 -7.658 -16.097 -99.200 -91.000 TRP 14 1.040 29.227 -18.577 -18.189 -99.200 -91.000 TRP6 14 1.020 31.000 -17.077 -18.656 -99.200 -91.000 TRP 37 1.040 18.016 -18.303 -18.362 -99.200 -91.000 TRP6 37 1.020 19.223 -19.044 -16.471 -99.200 -91.000 TRP 51 1.040 26.224 -17.305 -7.631 -99.200 -91.000 TRP6 51 1.020 24.696 -19.004 -6.957 -99.200 -91.000 TYR 57 0.840 37.972 -19.901 -19.717 -99.200 -91.000 PHE 58 1.000 30.841 -23.406 -16.649 -99.200 -91.000 PHE 80 1.000 22.737 -21.331 -1.447 -99.200 -91.000 PHE 90 1.000 15.234 -16.042 -5.013 -99.200 -91.000 TYR 95 0.840 4.209 -19.008 8.222 -99.200 -91.000 TYR 99 0.840 8.911 -11.877 4.251 -99.200 -91.000 PHE 108 1.000 29.936 -5.560 -5.645 -99.200 -91.000 PHE 114 1.000 15.785 -10.090 -5.776 -99.200 -91.000 PHE 152 1.000 41.489 -10.882 7.768 -99.200 -91.000 TYR 157 0.840 36.579 -9.943 10.745 -99.200 -91.000 TYR 169 0.840 38.717 -6.092 7.226 -99.200 -91.000 PHE 172 1.000 34.637 -1.565 0.889 -99.200 -91.000 PHE 173 1.000 32.169 -6.013 1.627 -99.200 -91.000 PHE 181 1.000 20.277 -8.540 5.541 -99.200 -91.000 TYR 183 0.840 26.878 -6.693 11.341 -99.200 -91.000 TYR 199 0.840 10.414 -10.961 -6.651 -99.200 -91.000 PHE 203 1.000 23.670 -10.869 -12.635 -99.200 -91.000