============================================================================= 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. TYR 42 0.840 53.481 4.490 32.222 -99.200 -91.000 TYR 43 0.840 47.610 1.723 38.216 -99.200 -91.000 TRP 44 1.040 56.071 -1.282 33.037 -99.200 -91.000 TRP6 44 1.020 55.246 -1.833 30.881 -99.200 -91.000 TYR 52 0.840 58.381 15.638 33.834 -99.200 -91.000 PHE 58 1.000 57.060 8.699 14.126 -99.200 -91.000 HIS 64 0.900 55.307 4.755 1.743 -99.200 -91.000 TYR 71 0.840 63.684 2.644 10.737 -99.200 -91.000 HIS 75 0.900 65.464 0.899 13.314 -99.200 -91.000 HIS 76 0.900 60.113 4.006 21.229 -99.200 -91.000 TYR 78 0.840 59.537 4.259 26.235 -99.200 -91.000 TYR 95 0.840 50.469 18.141 4.872 -99.200 -91.000 TRP 98 1.040 55.864 18.039 0.923 -99.200 -91.000 TRP6 98 1.020 55.655 17.564 3.235 -99.200 -91.000