============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 3 1.000 -56.753 24.099 17.397 -99.200 -91.000 PHE 18 1.000 -59.157 17.453 13.056 -99.200 -91.000 TYR 36 0.840 -53.913 18.588 34.043 -99.200 -91.000 HIS 40 0.900 -66.011 23.621 20.891 -99.200 -91.000 PHE 49 1.000 -59.070 33.762 5.568 -99.200 -91.000 HIS 62 0.900 -58.321 30.823 24.410 -99.200 -91.000 TYR 75 0.840 -47.609 26.342 20.262 -99.200 -91.000 TYR 95 0.840 -57.168 35.623 9.321 -99.200 -91.000 TYR 98 0.840 -51.128 30.754 17.883 -99.200 -91.000 TYR 99 0.840 -57.115 34.712 22.329 -99.200 -91.000 TRP 108 1.040 -59.296 21.712 36.001 -99.200 -91.000 TRP6 108 1.020 -57.884 20.868 37.708 -99.200 -91.000 PHE 113 1.000 -55.325 25.236 36.123 -99.200 -91.000