============================================================================= 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. PHE 21 1.000 17.499 0.695 -3.869 -99.200 -91.000 PHE 48 1.000 8.756 1.325 -15.307 -99.200 -91.000 PHE 74 1.000 16.861 6.010 -16.931 -99.200 -91.000 PHE 88 1.000 41.660 -14.509 -5.332 -99.200 -91.000 TRP 100 1.040 48.134 -6.440 -3.553 -99.200 -91.000 TRP6 100 1.020 47.434 -6.589 -1.292 -99.200 -91.000 PHE 112 1.000 39.252 8.439 -5.588 -99.200 -91.000 TYR 113 0.840 40.009 4.476 -10.693 -99.200 -91.000 TYR 121 0.840 25.021 13.690 -13.037 -99.200 -91.000 TRP 122 1.040 24.891 12.755 -7.281 -99.200 -91.000 TRP6 122 1.020 25.587 11.103 -5.744 -99.200 -91.000 TYR 137 0.840 36.572 -10.005 4.425 -99.200 -91.000 TRP 139 1.040 35.183 -4.319 12.045 -99.200 -91.000 TRP6 139 1.020 33.321 -4.214 10.617 -99.200 -91.000 HIS 147 0.900 42.700 -11.897 -1.871 -99.200 -91.000 TRP 165 1.040 32.736 14.730 -1.559 -99.200 -91.000 TRP6 165 1.020 32.589 12.956 -3.088 -99.200 -91.000 TYR 169 0.840 30.641 19.500 -2.696 -99.200 -91.000 TYR 214 0.840 13.056 1.288 -0.399 -99.200 -91.000 TYR 215 0.840 16.376 2.920 8.062 -99.200 -91.000 TYR 223 0.840 21.624 13.934 12.330 -99.200 -91.000 HIS 234 0.900 30.712 -8.082 14.129 -99.200 -91.000 HIS 236 0.900 36.390 -11.645 20.492 -99.200 -91.000 TYR 238 0.840 32.145 -21.322 22.170 -99.200 -91.000