============================================================================= 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. PHE 2 1.000 121.534 57.536 2.464 -99.200 -91.000 TYR 9 0.840 118.397 51.735 19.717 -99.200 -91.000 TYR 11 0.840 116.790 61.315 20.191 -99.200 -91.000 PHE 22 1.000 99.078 52.629 10.116 -99.200 -91.000 PHE 42 1.000 109.233 28.636 -25.026 -99.200 -91.000 TRP 74 1.040 97.829 33.989 -21.480 -99.200 -91.000 TRP6 74 1.020 98.795 33.181 -23.477 -99.200 -91.000 PHE 85 1.000 111.071 34.177 -27.335 -99.200 -91.000 TYR 101 0.840 114.743 35.956 -45.612 -99.200 -91.000 PHE 118 1.000 92.686 37.560 -28.335 -99.200 -91.000 PHE 132 1.000 113.534 31.421 -37.738 -99.200 -91.000 HIS 135 0.900 124.730 27.784 -37.501 -99.200 -91.000 TYR 146 0.840 133.439 35.831 -35.236 -99.200 -91.000 HIS 163 0.900 109.737 39.056 -36.877 -99.200 -91.000 HIS 193 0.900 107.016 48.478 -41.825 -99.200 -91.000 TYR 201 0.840 115.905 39.873 -26.165 -99.200 -91.000 TYR 205 0.840 125.643 40.337 -18.553 -99.200 -91.000 TYR 209 0.840 121.204 31.305 -13.814 -99.200 -91.000 TYR 210 0.840 120.671 32.874 -21.938 -99.200 -91.000 PHE 213 1.000 114.485 30.441 -25.766 -99.200 -91.000 TYR 224 0.840 126.944 34.886 -30.411 -99.200 -91.000 HIS 236 0.900 131.417 51.985 -22.466 -99.200 -91.000 TYR 256 0.840 123.679 38.297 -15.399 -99.200 -91.000 PHE 267 1.000 122.897 54.429 -20.520 -99.200 -91.000 PHE 272 1.000 110.252 47.178 -21.183 -99.200 -91.000 TYR 274 0.840 113.080 36.424 -21.768 -99.200 -91.000 TYR 280 0.840 108.368 28.441 -15.318 -99.200 -91.000 HIS 283 0.900 112.696 31.656 -8.657 -99.200 -91.000 TRP 291 1.040 112.793 20.737 -1.801 -99.200 -91.000 TRP6 291 1.020 114.497 20.468 -3.417 -99.200 -91.000 PHE 304 1.000 113.235 40.097 -12.454 -99.200 -91.000 TYR 315 0.840 109.855 31.648 -20.173 -99.200 -91.000 PHE 316 1.000 107.433 31.456 -12.034 -99.200 -91.000