============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 9 0.840 33.531 97.797 81.294 -99.200 -91.000 PHE 19 1.000 43.279 100.142 78.618 -99.200 -91.000 TYR 35 0.840 49.044 99.774 77.269 -99.200 -91.000 TYR 37 0.840 41.147 107.388 77.503 -99.200 -91.000 TYR 38 0.840 33.590 105.742 73.910 -99.200 -91.000 PHE 46 1.000 35.194 103.835 69.940 -99.200 -91.000 TYR 52 0.840 25.445 104.265 58.836 -99.200 -91.000 HIS 53 0.900 34.328 98.538 59.282 -99.200 -91.000 TYR 54 0.840 26.852 98.023 56.395 -99.200 -91.000 PHE 66 1.000 50.677 103.824 74.903 -99.200 -91.000 HIS 82 0.900 21.516 107.180 50.176 -99.200 -91.000 TYR 89 0.840 13.609 106.327 47.071 -99.200 -91.000 PHE 91 1.000 14.280 104.347 42.603 -99.200 -91.000 PHE 94 1.000 12.428 101.994 50.305 -99.200 -91.000 TRP 98 1.040 10.834 99.631 42.840 -99.200 -91.000 TRP6 98 1.020 10.340 101.494 44.192 -99.200 -91.000 HIS 101 0.900 15.623 98.717 39.164 -99.200 -91.000 TRP 121 1.040 41.667 114.604 73.606 -99.200 -91.000 TRP6 121 1.020 41.996 116.832 74.327 -99.200 -91.000 TYR 153 0.840 53.175 114.534 67.209 -99.200 -91.000 PHE 168 1.000 54.312 119.279 70.702 -99.200 -91.000 TRP 181 1.040 55.630 108.494 72.651 -99.200 -91.000 TRP6 181 1.020 53.787 107.489 73.735 -99.200 -91.000 TRP 182 1.040 53.642 105.407 68.267 -99.200 -91.000 TRP6 182 1.020 53.807 107.756 68.177 -99.200 -91.000 TRP 184 1.040 60.483 103.428 72.229 -99.200 -91.000 TRP6 184 1.020 60.966 105.309 73.577 -99.200 -91.000