============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 6 1.000 3.509 76.947 2.985 -99.200 -91.000 PHE 26 1.000 8.007 84.309 -0.442 -99.200 -91.000 PHE 30 1.000 10.422 76.798 3.662 -99.200 -91.000 PHE 47 1.000 -1.623 71.854 8.773 -99.200 -91.000 PHE 61 1.000 -2.658 51.696 10.963 -99.200 -91.000 TRP 80 1.040 -4.558 77.229 5.215 -99.200 -91.000 TRP6 80 1.020 -2.509 76.183 4.706 -99.200 -91.000 TRP 82 1.040 -4.762 87.910 2.421 -99.200 -91.000 TRP6 82 1.020 -3.192 87.013 0.893 -99.200 -91.000 TYR 89 0.840 -3.220 88.205 7.911 -99.200 -91.000 PHE 96 1.000 -6.490 70.840 4.654 -99.200 -91.000 HIS 103 0.900 6.343 53.516 -6.403 -99.200 -91.000 PHE 123 1.000 -2.863 59.700 17.160 -99.200 -91.000 HIS 136 0.900 -7.311 80.671 21.392 -99.200 -91.000 PHE 144 1.000 -1.991 81.399 32.169 -99.200 -91.000