============================================================================= 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 16 0.840 -6.246-137.256 65.388 -99.200 -91.000 TYR 30 0.840 29.976-142.805 59.770 -99.200 -91.000 PHE 36 1.000 26.527-139.492 65.821 -99.200 -91.000 HIS 62 0.900 20.760-125.686 55.097 -99.200 -91.000 TYR 76 0.840 13.033-110.019 61.600 -99.200 -91.000 TYR 90 0.840 0.670-119.392 55.168 -99.200 -91.000 PHE 92 1.000 4.499-129.821 50.947 -99.200 -91.000 TYR 94 0.840 11.484-121.745 53.137 -99.200 -91.000 TYR 100 0.840 11.547-128.652 40.581 -99.200 -91.000 TRP 110 1.040 20.433-138.536 49.613 -99.200 -91.000 TRP6 110 1.020 21.472-138.352 47.501 -99.200 -91.000 PHE 125 1.000 0.096-129.228 54.548 -99.200 -91.000 TYR 128 0.840 7.612-138.038 50.327 -99.200 -91.000 TYR 136 0.840 4.221-138.847 47.653 -99.200 -91.000 PHE 145 1.000 13.229-151.188 55.481 -99.200 -91.000 HIS 148 0.900 9.253-149.931 50.497 -99.200 -91.000 TYR 184 0.840 13.564-152.365 68.015 -99.200 -91.000 TYR 185 0.840 8.488-157.134 66.249 -99.200 -91.000 PHE 194 1.000 7.879-144.637 69.271 -99.200 -91.000 PHE 207 1.000 8.128-133.479 69.801 -99.200 -91.000 TRP 218 1.040 11.877-160.059 70.669 -99.200 -91.000 TRP6 218 1.020 13.054-160.384 68.650 -99.200 -91.000 PHE 220 1.000 8.510-165.646 67.263 -99.200 -91.000 TYR 227 0.840 21.331-174.844 58.369 -99.200 -91.000