============================================================================= 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 11.654 5.816 12.874 -99.200 -91.000 PHE 8 1.000 9.178 3.598 19.129 -99.200 -91.000 HIS 33 0.900 0.276 18.760 5.383 -99.200 -91.000 PHE 40 1.000 -0.221 2.186 10.600 -99.200 -91.000 TRP 42 1.040 -0.243 -3.696 13.505 -99.200 -91.000 TRP6 42 1.020 1.584 -3.342 14.958 -99.200 -91.000 TYR 43 0.840 1.437 -9.528 8.117 -99.200 -91.000 HIS 50 0.900 -7.215 -9.188 10.183 -99.200 -91.000 TYR 61 0.840 9.343 23.324 12.972 -99.200 -91.000 TYR 65 0.840 -1.529 15.183 7.983 -99.200 -91.000 HIS 75 0.900 -0.593 -9.444 29.912 -99.200 -91.000 TRP 78 1.040 7.304 -8.550 24.972 -99.200 -91.000 TRP6 78 1.020 7.868 -7.501 22.930 -99.200 -91.000 TYR 84 0.840 3.965 -9.432 19.077 -99.200 -91.000