============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 7 1.000 41.336 10.878 4.054 -99.200 -91.000 PHE 12 1.000 36.223 6.301 1.951 -99.200 -91.000 TYR 39 0.840 40.192 19.354 2.608 -99.200 -91.000 TYR 52 0.840 40.589 15.072 -8.754 -99.200 -91.000 PHE 61 1.000 37.745 16.193 12.921 -99.200 -91.000 TRP 67 1.040 30.573 11.123 11.689 -99.200 -91.000 TRP6 67 1.020 29.704 11.238 9.501 -99.200 -91.000 PHE 87 1.000 39.337 11.958 -6.483 -99.200 -91.000 HIS 88 0.900 45.814 8.216 -5.033 -99.200 -91.000 PHE 96 1.000 44.376 24.663 16.608 -99.200 -91.000 HIS 99 0.900 49.126 13.211 18.341 -99.200 -91.000 HIS 104 0.900 49.449 9.060 6.204 -99.200 -91.000