============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 3 0.840 5.498 77.656 72.664 -99.200 -91.000 PHE 7 1.000 1.652 75.994 65.429 -99.200 -91.000 PHE 31 1.000 2.340 74.162 53.124 -99.200 -91.000 HIS 99 0.900 -8.590 47.711 41.297 -99.200 -91.000 TRP 109 1.040 -0.945 46.553 40.461 -99.200 -91.000 TRP6 109 1.020 -1.791 46.123 42.641 -99.200 -91.000 PHE 121 1.000 12.851 56.820 45.200 -99.200 -91.000 TRP 122 1.040 9.736 58.203 39.479 -99.200 -91.000 TRP6 122 1.020 11.535 56.696 39.875 -99.200 -91.000 PHE 127 1.000 11.009 69.602 43.519 -99.200 -91.000 PHE 155 1.000 -15.146 44.932 47.288 -99.200 -91.000 TYR 159 0.840 -6.543 55.631 47.497 -99.200 -91.000 HIS 167 0.900 -0.005 55.410 55.549 -99.200 -91.000 TRP 177 1.040 17.303 61.505 52.643 -99.200 -91.000 TRP6 177 1.020 15.567 62.199 51.191 -99.200 -91.000 TYR 191 0.840 -14.469 57.600 53.005 -99.200 -91.000 PHE 207 1.000 -21.499 61.500 51.742 -99.200 -91.000 TRP 210 1.040 -17.715 56.383 51.539 -99.200 -91.000 TRP6 210 1.020 -16.830 58.060 50.113 -99.200 -91.000 PHE 231 1.000 2.313 69.723 64.171 -99.200 -91.000 TYR 239 0.840 12.588 64.573 69.408 -99.200 -91.000 TYR 251 0.840 -13.429 54.694 57.930 -99.200 -91.000 TRP 254 1.040 -16.280 53.382 66.115 -99.200 -91.000 TRP6 254 1.020 -17.745 54.730 64.785 -99.200 -91.000