============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 5 1.000 -54.585 -25.128 31.002 -99.200 -91.000 HIS 15 0.900 -42.576 -14.052 34.724 -99.200 -91.000 HIS 61 0.900 -33.442 -34.219 35.358 -99.200 -91.000 PHE 68 1.000 -24.799 -28.330 28.063 -99.200 -91.000 HIS 83 0.900 -41.768 -29.035 16.207 -99.200 -91.000 PHE 85 1.000 -40.345 -27.784 22.459 -99.200 -91.000 PHE 88 1.000 -39.093 -27.650 34.922 -99.200 -91.000 PHE 93 1.000 -30.630 -23.372 39.669 -99.200 -91.000 TYR 104 0.840 -31.415 -18.937 36.543 -99.200 -91.000 PHE 109 1.000 -24.707 -28.520 33.016 -99.200 -91.000 TRP 114 1.040 -29.418 -23.356 28.192 -99.200 -91.000 TRP6 114 1.020 -30.643 -25.083 29.222 -99.200 -91.000 HIS 121 0.900 -35.575 -29.852 46.067 -99.200 -91.000 HIS 140 0.900 -39.163 -9.704 30.390 -99.200 -91.000 TYR 160 0.840 -40.061 -28.558 52.223 -99.200 -91.000 HIS 171 0.900 -39.185 -14.279 47.128 -99.200 -91.000 PHE 174 1.000 -36.724 -16.078 38.994 -99.200 -91.000 PHE 178 1.000 -46.652 -22.945 44.082 -99.200 -91.000 PHE 190 1.000 -48.173 -18.185 42.531 -99.200 -91.000 HIS 192 0.900 -50.998 -25.158 41.286 -99.200 -91.000 TYR 210 0.840 -44.623 -43.625 37.410 -99.200 -91.000 TYR 244 0.840 -48.878 -40.784 29.435 -99.200 -91.000 TRP 249 1.040 -57.528 -29.946 25.763 -99.200 -91.000 TRP6 249 1.020 -56.358 -27.947 26.231 -99.200 -91.000 TYR 252 0.840 -57.971 -26.802 30.449 -99.200 -91.000