============================================================================= 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 13 1.000 27.597 3.364 46.222 -99.200 -91.000 PHE 24 1.000 32.477 -2.135 37.803 -99.200 -91.000 TYR 25 0.840 23.981 -1.585 39.910 -99.200 -91.000 TRP 41 1.040 24.696 -9.374 52.513 -99.200 -91.000 TRP6 41 1.020 25.260 -11.500 51.639 -99.200 -91.000 TRP 44 1.040 33.208 -12.482 56.578 -99.200 -91.000 TRP6 44 1.020 32.886 -10.729 58.134 -99.200 -91.000 HIS 52 0.900 19.330 -14.292 53.477 -99.200 -91.000 TYR 54 0.840 11.907 -9.572 60.530 -99.200 -91.000 TYR 70 0.840 32.609 -4.623 55.882 -99.200 -91.000 TRP 80 1.040 23.961 -15.985 52.700 -99.200 -91.000 TRP6 80 1.020 24.860 -16.470 54.829 -99.200 -91.000 TYR 88 0.840 20.245 -8.529 50.472 -99.200 -91.000 PHE 93 1.000 32.918 -8.744 46.074 -99.200 -91.000 TYR 106 0.840 30.340 0.971 65.381 -99.200 -91.000 PHE 112 1.000 24.463 2.362 57.603 -99.200 -91.000 TYR 122 0.840 17.319 3.973 63.813 -99.200 -91.000 HIS 124 0.900 19.600 -2.598 65.006 -99.200 -91.000 TRP 133 1.040 9.671 -3.949 60.373 -99.200 -91.000 TRP6 133 1.020 10.685 -2.481 58.818 -99.200 -91.000 TRP 141 1.040 9.632 1.298 54.877 -99.200 -91.000 TRP6 141 1.020 7.362 0.739 54.511 -99.200 -91.000 TYR 144 0.840 12.182 9.861 56.834 -99.200 -91.000