============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 17 0.840 -9.553 44.151 31.421 -99.200 -91.000 HIS 41 0.900 -9.829 50.448 39.047 -99.200 -91.000 HIS 47 0.900 -20.381 47.407 34.394 -99.200 -91.000 PHE 51 1.000 -18.525 42.549 26.204 -99.200 -91.000 HIS 53 0.900 -13.075 32.841 30.507 -99.200 -91.000 TRP 56 1.040 -20.350 34.924 41.393 -99.200 -91.000 TRP6 56 1.020 -22.255 35.782 40.278 -99.200 -91.000 TYR 62 0.840 -8.091 44.439 55.700 -99.200 -91.000 PHE 85 1.000 3.268 45.016 51.745 -99.200 -91.000 TYR 116 0.840 9.642 34.530 56.237 -99.200 -91.000 PHE 138 1.000 17.506 37.825 28.924 -99.200 -91.000 TYR 145 0.840 18.950 40.394 18.153 -99.200 -91.000 HIS 154 0.900 12.205 27.514 26.440 -99.200 -91.000 TYR 156 0.840 16.885 31.457 34.809 -99.200 -91.000 HIS 161 0.900 10.846 44.228 39.635 -99.200 -91.000 TRP 169 1.040 23.042 37.922 28.715 -99.200 -91.000 TRP6 169 1.020 22.015 38.374 26.636 -99.200 -91.000 PHE 180 1.000 16.988 30.062 17.568 -99.200 -91.000 TYR 205 0.840 14.124 56.738 33.045 -99.200 -91.000 TYR 215 0.840 -1.451 50.803 33.739 -99.200 -91.000 TYR 216 0.840 -2.587 48.002 30.211 -99.200 -91.000 TYR 237 0.840 5.171 30.468 36.656 -99.200 -91.000 PHE 242 1.000 13.970 34.277 55.336 -99.200 -91.000 TYR 270 0.840 19.096 27.480 46.369 -99.200 -91.000 PHE 293 1.000 21.270 44.312 60.093 -99.200 -91.000 PHE 297 1.000 10.509 44.583 58.552 -99.200 -91.000