============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 1 1.000 -29.027 -0.927 22.079 -99.200 -91.000 HIS 19 0.900 -36.325 14.833 19.673 -99.200 -91.000 HIS 50 0.900 -19.994 10.453 40.231 -99.200 -91.000 TYR 53 0.840 -17.506 14.758 30.170 -99.200 -91.000 PHE 63 1.000 -18.038 6.841 29.750 -99.200 -91.000 PHE 71 1.000 -16.542 12.755 24.643 -99.200 -91.000 HIS 76 0.900 -13.294 25.046 32.561 -99.200 -91.000 TYR 77 0.840 -17.471 28.772 28.102 -99.200 -91.000 HIS 86 0.900 -13.899 17.090 25.262 -99.200 -91.000 HIS 100 0.900 -21.579 4.408 16.672 -99.200 -91.000 TYR 103 0.840 -16.441 15.159 20.521 -99.200 -91.000 TYR 106 0.840 -17.221 25.299 15.529 -99.200 -91.000 PHE 108 1.000 -18.973 22.917 6.909 -99.200 -91.000 HIS 118 0.900 -6.532 24.798 16.332 -99.200 -91.000 HIS 120 0.900 -15.530 20.601 19.806 -99.200 -91.000 TYR 125 0.840 -6.846 13.509 13.723 -99.200 -91.000 TYR 134 0.840 -15.306 7.797 13.070 -99.200 -91.000 PHE 136 1.000 -15.196 11.587 14.990 -99.200 -91.000 TYR 142 0.840 -26.714 24.215 20.897 -99.200 -91.000 PHE 145 1.000 -25.870 32.878 22.398 -99.200 -91.000 PHE 146 1.000 -26.864 33.360 17.485 -99.200 -91.000 HIS 190 0.900 -26.785 7.371 10.511 -99.200 -91.000 TYR 195 0.840 -23.684 11.672 9.381 -99.200 -91.000 TRP 203 1.040 -30.223 32.591 10.611 -99.200 -91.000 TRP6 203 1.020 -29.756 34.134 12.327 -99.200 -91.000 PHE 205 1.000 -27.229 38.010 14.211 -99.200 -91.000 HIS 222 0.900 -27.334 43.563 12.444 -99.200 -91.000 PHE 227 1.000 -15.137 41.202 21.426 -99.200 -91.000 PHE 233 1.000 -27.711 46.765 23.910 -99.200 -91.000 PHE 242 1.000 -22.336 34.514 33.152 -99.200 -91.000 TYR 250 0.840 -24.110 38.602 18.865 -99.200 -91.000