============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 7 1.000 26.688 32.751 18.769 -99.200 -91.000 HIS 28 0.900 38.347 36.185 29.396 -99.200 -91.000 PHE 29 1.000 31.176 36.014 26.516 -99.200 -91.000 TRP 30 1.040 38.041 40.647 26.642 -99.200 -91.000 TRP6 30 1.020 39.100 42.660 25.997 -99.200 -91.000 TRP 33 1.040 34.472 49.281 31.266 -99.200 -91.000 TRP6 33 1.020 33.217 48.605 33.151 -99.200 -91.000 PHE 44 1.000 41.894 34.481 29.174 -99.200 -91.000 PHE 47 1.000 45.601 29.215 26.823 -99.200 -91.000 TYR 48 0.840 47.128 33.669 20.448 -99.200 -91.000 HIS 51 0.900 49.178 26.758 19.533 -99.200 -91.000 PHE 76 1.000 42.601 47.454 27.224 -99.200 -91.000 PHE 84 1.000 44.048 38.057 24.192 -99.200 -91.000 TYR 97 0.840 28.044 31.020 24.801 -99.200 -91.000 HIS 98 0.900 21.411 32.110 29.291 -99.200 -91.000 PHE 106 1.000 30.609 30.615 29.515 -99.200 -91.000 TRP 129 1.040 39.389 25.104 32.273 -99.200 -91.000 TRP6 129 1.020 38.004 26.942 31.783 -99.200 -91.000