============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 12 1.000 -4.883 9.016 40.070 -99.200 -91.000 TYR 17 0.840 -0.961 12.253 42.677 -99.200 -91.000 PHE 18 1.000 -4.785 15.282 41.193 -99.200 -91.000 TRP 23 1.040 1.870 13.243 46.108 -99.200 -91.000 TRP6 23 1.020 2.056 11.014 46.831 -99.200 -91.000 TYR 24 0.840 8.438 16.154 50.921 -99.200 -91.000 TYR 28 0.840 16.452 13.453 38.984 -99.200 -91.000 TYR 40 0.840 16.472 20.529 39.821 -99.200 -91.000 TYR 58 0.840 11.560 24.161 46.445 -99.200 -91.000 HIS 59 0.900 11.183 21.930 39.060 -99.200 -91.000 TYR 60 0.840 17.905 24.852 46.587 -99.200 -91.000 PHE 68 1.000 12.397 26.209 38.383 -99.200 -91.000 TYR 69 0.840 8.329 27.824 45.979 -99.200 -91.000 TYR 82 0.840 -5.088 14.448 36.123 -99.200 -91.000 PHE 86 1.000 5.269 25.819 32.696 -99.200 -91.000 TYR 104 0.840 1.660 21.563 26.597 -99.200 -91.000 TYR 105 0.840 3.294 20.208 34.981 -99.200 -91.000 PHE 107 1.000 -0.101 15.417 36.948 -99.200 -91.000 TYR 111 0.840 1.793 1.954 43.122 -99.200 -91.000 HIS 120 0.900 5.576 10.647 30.680 -99.200 -91.000 HIS 124 0.900 5.053 19.544 25.491 -99.200 -91.000 TYR 134 0.840 9.020 7.290 32.641 -99.200 -91.000 PHE 160 1.000 14.359 2.899 42.316 -99.200 -91.000 PHE 163 1.000 13.127 5.788 37.843 -99.200 -91.000 TYR 173 0.840 12.201 19.322 49.473 -99.200 -91.000