============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 6 1.000 17.613 32.115 -4.535 -99.200 -91.000 PHE 21 1.000 9.893 15.720 -14.359 -99.200 -91.000 PHE 36 1.000 12.102 19.695 -0.465 -99.200 -91.000 PHE 38 1.000 4.735 17.793 -0.367 -99.200 -91.000 TYR 47 0.840 10.191 20.729 -10.313 -99.200 -91.000 PHE 64 1.000 25.337 17.750 -3.436 -99.200 -91.000 HIS 75 0.900 29.398 30.818 -11.260 -99.200 -91.000 HIS 96 0.900 25.578 11.290 -3.216 -99.200 -91.000 PHE 99 1.000 17.045 7.373 0.300 -99.200 -91.000 TYR 107 0.840 11.679 14.347 -1.879 -99.200 -91.000 PHE 113 1.000 21.822 21.091 -0.199 -99.200 -91.000 PHE 121 1.000 16.206 24.298 0.454 -99.200 -91.000 TRP 123 1.040 13.649 22.303 -5.581 -99.200 -91.000 TRP6 123 1.020 15.876 21.628 -5.169 -99.200 -91.000