============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 60.125 -1.342 18.204 -99.200 -91.000 TYR 14 0.840 55.518 11.120 21.355 -99.200 -91.000 TYR 22 0.840 50.772 2.312 41.945 -99.200 -91.000 HIS 23 0.900 53.653 3.381 33.997 -99.200 -91.000 PHE 24 1.000 48.355 6.426 37.772 -99.200 -91.000 TRP 34 1.040 47.707 22.871 29.835 -99.200 -91.000 TRP6 34 1.020 45.770 22.325 31.039 -99.200 -91.000 HIS 40 0.900 41.369 3.433 31.262 -99.200 -91.000 TYR 42 0.840 40.562 12.025 38.893 -99.200 -91.000 PHE 64 1.000 61.100 11.567 39.056 -99.200 -91.000 HIS 73 0.900 34.491 15.106 26.972 -99.200 -91.000 TYR 76 0.840 35.509 8.107 31.888 -99.200 -91.000 TRP 121 1.040 58.114 2.698 30.831 -99.200 -91.000 TRP6 121 1.020 57.558 4.934 30.402 -99.200 -91.000 TYR 131 0.840 52.360 -4.737 34.612 -99.200 -91.000 TYR 152 0.840 36.838 -5.138 20.744 -99.200 -91.000 PHE 161 1.000 42.523 5.198 16.521 -99.200 -91.000 TYR 165 0.840 50.071 -5.849 13.982 -99.200 -91.000 TRP 193 1.040 37.582 0.213 24.997 -99.200 -91.000 TRP6 193 1.020 36.454 -1.644 24.149 -99.200 -91.000 TYR 206 0.840 44.846 1.846 20.399 -99.200 -91.000 TYR 212 0.840 37.209 13.305 22.345 -99.200 -91.000 TRP 215 1.040 36.689 19.368 26.003 -99.200 -91.000 TRP6 215 1.020 38.211 17.983 27.141 -99.200 -91.000