============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 5 1.000 85.147 23.609 49.639 -99.200 -91.000 HIS 18 0.900 68.319 18.890 39.644 -99.200 -91.000 PHE 26 1.000 72.534 15.565 52.124 -99.200 -91.000 TYR 28 0.840 65.825 7.116 53.509 -99.200 -91.000 TYR 30 0.840 61.013 10.855 52.200 -99.200 -91.000 TRP 37 1.040 69.217 11.582 46.629 -99.200 -91.000 TRP6 37 1.020 71.227 12.839 46.682 -99.200 -91.000 HIS 45 0.900 64.609 17.652 42.554 -99.200 -91.000 TRP 52 1.040 49.894 27.023 42.637 -99.200 -91.000 TRP6 52 1.020 48.984 25.315 43.988 -99.200 -91.000 TYR 54 0.840 46.366 35.653 48.160 -99.200 -91.000 TRP 57 1.040 48.456 28.467 47.646 -99.200 -91.000 TRP6 57 1.020 48.732 26.414 48.789 -99.200 -91.000 PHE 62 1.000 36.131 26.287 47.637 -99.200 -91.000 TRP 80 1.040 33.530 37.301 49.323 -99.200 -91.000 TRP6 80 1.020 35.108 36.030 48.119 -99.200 -91.000 HIS 93 0.900 35.417 32.472 36.130 -99.200 -91.000