============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. TRP 6 1.040 7.405 -14.436 11.513 -99.200 -91.000 TRP6 6 1.020 5.090 -14.251 11.994 -99.200 -91.000 HIS 16 0.900 3.894 2.412 24.233 -99.200 -91.000 HIS 33 0.900 4.604 -5.639 10.638 -99.200 -91.000 HIS 42 0.900 8.296 8.914 0.003 -99.200 -91.000 TYR 50 0.840 25.149 3.930 7.499 -99.200 -91.000 PHE 60 1.000 33.703 17.058 12.857 -99.200 -91.000 PHE 79 1.000 15.489 4.448 18.899 -99.200 -91.000 TYR 104 0.840 18.370 -7.887 24.588 -99.200 -91.000 TYR 114 0.840 17.552 -15.709 7.320 -99.200 -91.000