============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 12 0.840 2.575 35.034 48.918 -99.200 -91.000 HIS 19 0.900 -15.724 30.387 46.674 -99.200 -91.000 TYR 28 0.840 -9.649 33.670 42.395 -99.200 -91.000 TYR 31 0.840 2.435 41.240 48.133 -99.200 -91.000 HIS 42 0.900 1.079 52.377 39.062 -99.200 -91.000 PHE 45 1.000 -1.987 44.465 32.407 -99.200 -91.000 TYR 47 0.840 -6.155 42.156 36.551 -99.200 -91.000 TYR 57 0.840 4.541 28.252 44.215 -99.200 -91.000 TRP 67 1.040 10.503 24.266 31.765 -99.200 -91.000 TRP6 67 1.020 11.599 25.014 33.719 -99.200 -91.000 TYR 76 0.840 5.333 23.631 28.045 -99.200 -91.000 PHE 98 1.000 11.519 34.572 37.327 -99.200 -91.000 PHE 102 1.000 6.371 39.677 43.783 -99.200 -91.000 TYR 131 0.840 19.127 20.708 62.910 -99.200 -91.000 PHE 142 1.000 21.632 27.337 51.767 -99.200 -91.000 PHE 143 1.000 20.298 23.565 55.521 -99.200 -91.000 PHE 151 1.000 24.317 27.945 56.397 -99.200 -91.000 TRP 155 1.040 23.431 17.189 53.248 -99.200 -91.000 TRP6 155 1.020 21.141 16.929 52.713 -99.200 -91.000 TYR 157 0.840 20.227 16.670 63.223 -99.200 -91.000 PHE 166 1.000 15.581 15.222 55.281 -99.200 -91.000 TYR 184 0.840 10.745 19.126 62.676 -99.200 -91.000 TYR 186 0.840 9.135 23.101 57.621 -99.200 -91.000 TYR 195 0.840 -0.371 34.082 56.252 -99.200 -91.000 TYR 216 0.840 8.455 34.980 47.099 -99.200 -91.000 TRP 250 1.040 -2.910 41.466 51.476 -99.200 -91.000 TRP6 250 1.020 -5.089 40.566 51.666 -99.200 -91.000 TRP 251 1.040 3.442 38.029 55.452 -99.200 -91.000 TRP6 251 1.020 2.869 38.288 53.171 -99.200 -91.000 TYR 252 0.840 4.045 41.742 60.222 -99.200 -91.000