============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 4 1.000 44.524 -55.935 20.086 -99.200 -91.000 TRP 14 1.040 44.645 -59.223 16.470 -99.200 -91.000 TRP6 14 1.020 44.481 -57.281 15.151 -99.200 -91.000 PHE 25 1.000 24.752 -34.527 5.562 -99.200 -91.000 HIS 42 0.900 45.632 -45.664 32.774 -99.200 -91.000 PHE 45 1.000 44.894 -54.867 30.180 -99.200 -91.000 HIS 53 0.900 30.892 -58.643 24.202 -99.200 -91.000 HIS 59 0.900 42.127 -42.148 21.804 -99.200 -91.000 PHE 75 1.000 38.170 -33.717 4.187 -99.200 -91.000 TRP 90 1.040 31.339 -30.654 14.130 -99.200 -91.000 TRP6 90 1.020 32.419 -28.859 15.225 -99.200 -91.000 TYR 99 0.840 32.564 -24.876 26.581 -99.200 -91.000 HIS 100 0.900 35.055 -28.948 19.354 -99.200 -91.000 HIS 102 0.900 32.563 -31.325 27.300 -99.200 -91.000 TRP 110 1.040 37.224 -40.516 23.126 -99.200 -91.000 TRP6 110 1.020 37.385 -41.558 25.237 -99.200 -91.000 PHE 112 1.000 37.209 -42.431 15.480 -99.200 -91.000 PHE 120 1.000 44.607 -49.427 18.098 -99.200 -91.000 PHE 123 1.000 38.237 -50.970 4.836 -99.200 -91.000 PHE 124 1.000 39.525 -44.835 10.990 -99.200 -91.000 HIS 125 0.900 30.506 -43.688 10.524 -99.200 -91.000 HIS 135 0.900 41.590 -32.382 1.980 -99.200 -91.000 PHE 156 1.000 50.847 -27.793 20.754 -99.200 -91.000 HIS 157 0.900 41.477 -27.216 25.318 -99.200 -91.000 PHE 209 1.000 63.228 -31.388 20.097 -99.200 -91.000 TYR 210 0.840 58.671 -31.897 22.081 -99.200 -91.000 TYR 218 0.840 55.852 -36.085 42.002 -99.200 -91.000 HIS 222 0.900 56.449 -34.766 50.837 -99.200 -91.000 TYR 267 0.840 38.358 -40.121 31.811 -99.200 -91.000 HIS 268 0.900 42.638 -36.303 37.337 -99.200 -91.000 TRP 281 1.040 41.178 -22.855 45.464 -99.200 -91.000 TRP6 281 1.020 38.852 -23.105 45.801 -99.200 -91.000 HIS 287 0.900 40.394 -13.091 42.680 -99.200 -91.000 PHE 310 1.000 53.561 -27.076 4.838 -99.200 -91.000 TYR 311 0.840 53.348 -22.668 7.168 -99.200 -91.000 HIS 322 0.900 59.792 -48.131 21.570 -99.200 -91.000 PHE 324 1.000 56.145 -52.032 17.477 -99.200 -91.000 PHE 327 1.000 44.409 -54.310 11.006 -99.200 -91.000 PHE 334 1.000 45.949 -52.657 24.359 -99.200 -91.000