============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 19 1.000 -3.822 -4.215 42.809 -99.200 -91.000 PHE 31 1.000 -1.770 -3.753 48.201 -99.200 -91.000 PHE 48 1.000 -20.454 -6.532 44.055 -99.200 -91.000 PHE 61 1.000 -1.548 -5.361 38.402 -99.200 -91.000 HIS 77 0.900 6.092 -9.119 60.185 -99.200 -91.000 TYR 78 0.840 12.075 -12.508 58.952 -99.200 -91.000 TYR 81 0.840 5.575 -10.265 53.607 -99.200 -91.000 TRP 82 1.040 6.632 -17.992 51.744 -99.200 -91.000 TRP6 82 1.020 7.408 -16.497 50.150 -99.200 -91.000 TRP 89 1.040 -0.110 -18.541 43.516 -99.200 -91.000 TRP6 89 1.020 -0.570 -20.810 43.903 -99.200 -91.000 TYR 93 0.840 -3.546 -20.901 39.773 -99.200 -91.000 TYR 120 0.840 -8.511 -11.775 28.477 -99.200 -91.000 TYR 129 0.840 2.474 1.374 32.309 -99.200 -91.000 PHE 144 1.000 6.071 -25.436 45.721 -99.200 -91.000 TRP 145 1.040 4.236 -21.132 46.148 -99.200 -91.000 TRP6 145 1.020 3.713 -18.840 46.056 -99.200 -91.000 HIS 156 0.900 9.820 -27.122 31.185 -99.200 -91.000 PHE 169 1.000 8.849 -12.239 28.784 -99.200 -91.000 TRP 200 1.040 -13.163 -14.278 30.563 -99.200 -91.000 TRP6 200 1.020 -12.136 -16.251 31.252 -99.200 -91.000 HIS 206 0.900 -21.677 -25.615 40.325 -99.200 -91.000 PHE 234 1.000 10.245 -15.512 53.183 -99.200 -91.000 PHE 237 1.000 16.889 -16.801 50.650 -99.200 -91.000