============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 3 0.840 58.243 -3.201 17.833 -99.200 -91.000 PHE 4 1.000 53.278 -4.279 25.319 -99.200 -91.000 PHE 12 1.000 57.872 -23.340 30.279 -99.200 -91.000 TYR 19 0.840 54.237 1.339 23.283 -99.200 -91.000 PHE 30 1.000 41.114 3.990 22.840 -99.200 -91.000 TRP 41 1.040 41.271 0.175 19.508 -99.200 -91.000 TRP6 41 1.020 39.020 0.051 20.204 -99.200 -91.000 HIS 42 0.900 45.710 4.922 15.804 -99.200 -91.000 HIS 44 0.900 35.212 5.625 12.094 -99.200 -91.000 PHE 49 1.000 38.251 8.007 23.790 -99.200 -91.000 TYR 54 0.840 39.783 11.409 27.963 -99.200 -91.000 PHE 59 1.000 47.560 -3.871 23.603 -99.200 -91.000 PHE 73 1.000 47.824 -16.220 21.839 -99.200 -91.000 PHE 104 1.000 37.128 -13.580 28.905 -99.200 -91.000 PHE 135 1.000 26.572 -25.573 16.760 -99.200 -91.000 PHE 136 1.000 26.461 -18.498 16.549 -99.200 -91.000 TYR 144 0.840 43.661 -22.292 11.976 -99.200 -91.000 TYR 154 0.840 29.800 -19.252 2.598 -99.200 -91.000 PHE 164 1.000 29.673 -3.790 8.757 -99.200 -91.000 TRP 178 1.040 29.773 -0.575 6.074 -99.200 -91.000 TRP6 178 1.020 31.386 0.321 7.544 -99.200 -91.000 PHE 182 1.000 33.544 -6.567 4.777 -99.200 -91.000 TRP 185 1.040 40.141 -1.702 7.586 -99.200 -91.000 TRP6 185 1.020 41.415 -1.081 9.501 -99.200 -91.000 TYR 209 0.840 33.720 -10.703 34.576 -99.200 -91.000 PHE 221 1.000 28.672 -1.956 19.668 -99.200 -91.000 TYR 230 0.840 21.319 -13.126 26.357 -99.200 -91.000 TYR 244 0.840 23.201 -2.939 27.969 -99.200 -91.000 HIS 252 0.900 31.121 -8.572 17.450 -99.200 -91.000 PHE 255 1.000 34.997 -1.135 17.104 -99.200 -91.000 PHE 256 1.000 36.251 0.909 11.759 -99.200 -91.000 PHE 269 1.000 32.393 5.073 32.402 -99.200 -91.000 PHE 270 1.000 36.809 6.252 29.597 -99.200 -91.000