============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. HIS 6 0.900 25.550 56.190 63.284 -99.200 -91.000 PHE 7 1.000 31.538 51.831 63.867 -99.200 -91.000 PHE 11 1.000 24.730 51.103 44.858 -99.200 -91.000 PHE 14 1.000 25.194 60.140 41.994 -99.200 -91.000 TYR 16 0.840 26.530 61.818 36.875 -99.200 -91.000 PHE 17 1.000 19.561 59.423 32.090 -99.200 -91.000 TYR 26 0.840 25.233 52.508 36.309 -99.200 -91.000 TYR 30 0.840 29.859 49.762 45.361 -99.200 -91.000 TYR 32 0.840 33.446 52.412 57.049 -99.200 -91.000 TYR 37 0.840 34.175 51.078 49.990 -99.200 -91.000 PHE 40 1.000 30.788 50.556 35.859 -99.200 -91.000 TYR 47 0.840 32.106 47.461 39.842 -99.200 -91.000 TYR 60 0.840 34.101 38.930 45.059 -99.200 -91.000 TYR 61 0.840 32.639 45.127 44.682 -99.200 -91.000 TYR 65 0.840 29.720 41.846 42.256 -99.200 -91.000 TYR 79 0.840 12.947 49.520 31.461 -99.200 -91.000 TYR 81 0.840 15.803 60.737 29.786 -99.200 -91.000 HIS 109 0.900 10.418 106.652 52.406 -99.200 -91.000 HIS 110 0.900 18.180 103.153 47.548 -99.200 -91.000 PHE 120 1.000 10.345 78.478 39.435 -99.200 -91.000 TYR 121 0.840 10.118 69.828 38.161 -99.200 -91.000 TRP 129 1.040 12.733 93.481 39.279 -99.200 -91.000 TRP6 129 1.020 10.597 94.323 39.809 -99.200 -91.000 PHE 130 1.000 11.869 94.334 30.873 -99.200 -91.000 TRP 151 1.040 9.244 65.731 43.074 -99.200 -91.000 TRP6 151 1.020 10.210 64.873 41.093 -99.200 -91.000 PHE 153 1.000 13.576 73.589 41.221 -99.200 -91.000 TYR 169 0.840 9.935 100.914 39.403 -99.200 -91.000 HIS 172 0.900 8.547 89.342 30.029 -99.200 -91.000 HIS 175 0.900 8.646 77.247 34.392 -99.200 -91.000 TRP 186 1.040 4.495 98.071 43.494 -99.200 -91.000 TRP6 186 1.020 5.562 100.148 43.859 -99.200 -91.000