============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 5 1.000 54.732 49.550 3.445 -99.200 -91.000 PHE 7 1.000 50.811 41.460 7.553 -99.200 -91.000 TYR 23 0.840 46.034 20.801 10.785 -99.200 -91.000 PHE 29 1.000 56.343 23.641 6.432 -99.200 -91.000 TYR 46 0.840 50.347 31.942 -20.615 -99.200 -91.000 PHE 62 1.000 66.541 27.050 -9.025 -99.200 -91.000 PHE 96 1.000 41.683 28.452 6.025 -99.200 -91.000 PHE 112 1.000 38.110 28.311 1.929 -99.200 -91.000 PHE 116 1.000 53.288 34.182 2.614 -99.200 -91.000 TYR 117 0.840 48.856 35.214 4.736 -99.200 -91.000 PHE 120 1.000 53.183 33.781 9.868 -99.200 -91.000 TYR 138 0.840 62.610 46.827 -2.970 -99.200 -91.000 TRP 140 1.040 55.893 41.208 3.076 -99.200 -91.000 TRP6 140 1.020 55.316 39.337 4.405 -99.200 -91.000 PHE 148 1.000 53.399 44.513 4.883 -99.200 -91.000 PHE 168 1.000 64.378 34.072 10.340 -99.200 -91.000 TYR 176 0.840 58.166 19.989 9.642 -99.200 -91.000 HIS 189 0.900 50.708 15.796 2.019 -99.200 -91.000 PHE 192 1.000 50.616 13.093 -10.251 -99.200 -91.000 TYR 195 0.840 57.932 24.342 -12.944 -99.200 -91.000