============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 7 1.000 39.646 4.796 38.347 -99.200 -91.000 TYR 23 0.840 25.379 10.620 30.547 -99.200 -91.000 TRP 36 1.040 26.867 3.804 30.019 -99.200 -91.000 TRP6 36 1.020 27.171 5.293 31.840 -99.200 -91.000 HIS 45 0.900 11.890 27.513 17.462 -99.200 -91.000 HIS 48 0.900 12.667 15.073 15.362 -99.200 -91.000 TYR 53 0.840 12.567 11.549 19.460 -99.200 -91.000 TYR 63 0.840 33.239 5.599 25.847 -99.200 -91.000 PHE 72 1.000 17.657 8.020 18.232 -99.200 -91.000 PHE 92 1.000 25.455 11.968 14.148 -99.200 -91.000 HIS 93 0.900 28.728 15.473 13.313 -99.200 -91.000 TRP 98 1.040 34.970 8.362 19.969 -99.200 -91.000 TRP6 98 1.020 32.969 9.164 20.955 -99.200 -91.000 TYR 102 0.840 34.641 14.205 19.496 -99.200 -91.000 PHE 132 1.000 13.763 2.822 15.117 -99.200 -91.000