============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 4 1.000 28.190 -31.561 30.045 -99.200 -91.000 TYR 5 0.840 35.384 -28.858 24.846 -99.200 -91.000 PHE 14 1.000 32.158 -25.757 28.263 -99.200 -91.000 PHE 21 1.000 30.299 -15.274 35.353 -99.200 -91.000 TYR 22 0.840 34.769 -12.805 33.754 -99.200 -91.000 TYR 35 0.840 34.812 -11.739 38.662 -99.200 -91.000 PHE 50 1.000 37.559 -25.339 36.935 -99.200 -91.000 TYR 54 0.840 34.128 -30.231 36.756 -99.200 -91.000 TRP 55 1.040 31.576 -28.809 32.472 -99.200 -91.000 TRP6 55 1.020 30.124 -30.333 33.575 -99.200 -91.000 TYR 61 0.840 42.643 -24.105 35.545 -99.200 -91.000 HIS 67 0.900 46.943 -31.145 41.103 -99.200 -91.000 HIS 74 0.900 37.314 -18.741 43.392 -99.200 -91.000 PHE 77 1.000 39.454 -12.328 44.478 -99.200 -91.000 TRP 87 1.040 30.483 -16.722 39.832 -99.200 -91.000 TRP6 87 1.020 29.788 -18.847 39.044 -99.200 -91.000 HIS 92 0.900 21.201 -20.196 37.716 -99.200 -91.000 HIS 107 0.900 24.463 -33.457 27.343 -99.200 -91.000 TYR 114 0.840 31.243 -27.935 38.340 -99.200 -91.000 HIS 120 0.900 26.423 -23.261 49.933 -99.200 -91.000 PHE 127 1.000 31.105 -9.274 57.688 -99.200 -91.000