============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 6 1.000 23.882 -2.673 13.657 -99.200 -91.000 TRP 14 1.040 19.499 -8.837 30.079 -99.200 -91.000 TRP6 14 1.020 20.034 -11.065 29.512 -99.200 -91.000 PHE 15 1.000 18.672 -2.152 26.279 -99.200 -91.000 TYR 19 0.840 12.231 5.067 23.654 -99.200 -91.000 HIS 22 0.900 11.869 15.910 25.053 -99.200 -91.000 TYR 28 0.840 17.619 4.904 24.378 -99.200 -91.000 TRP 39 1.040 10.756 -3.080 42.019 -99.200 -91.000 TRP6 39 1.020 10.867 -0.822 42.708 -99.200 -91.000 HIS 45 0.900 24.704 8.965 33.521 -99.200 -91.000 PHE 47 1.000 16.277 7.688 34.858 -99.200 -91.000 TYR 50 0.840 15.103 17.609 31.883 -99.200 -91.000 TYR 56 0.840 12.178 10.257 32.788 -99.200 -91.000 TYR 59 0.840 7.851 1.621 23.948 -99.200 -91.000 PHE 75 1.000 5.530 -2.825 31.223 -99.200 -91.000 HIS 83 0.900 22.920 5.855 46.413 -99.200 -91.000 TYR 86 0.840 24.744 11.438 39.990 -99.200 -91.000 HIS 93 0.900 28.818 11.159 35.755 -99.200 -91.000 HIS 94 0.900 32.396 9.682 43.002 -99.200 -91.000 TYR 125 0.840 30.667 -6.641 50.237 -99.200 -91.000 PHE 130 1.000 39.046 -7.273 39.223 -99.200 -91.000 PHE 139 1.000 17.926 0.501 21.054 -99.200 -91.000 TYR 147 0.840 24.104 14.250 13.256 -99.200 -91.000 TYR 149 0.840 21.802 8.289 21.200 -99.200 -91.000 HIS 163 0.900 40.423 -0.048 42.958 -99.200 -91.000 HIS 170 0.900 50.653 7.214 31.226 -99.200 -91.000 TYR 171 0.840 44.901 1.481 32.149 -99.200 -91.000 TYR 172 0.840 39.111 6.150 33.215 -99.200 -91.000 TRP 188 1.040 43.449 -0.614 24.526 -99.200 -91.000 TRP6 188 1.020 42.556 -0.203 26.677 -99.200 -91.000 TRP 217 1.040 32.619 7.045 35.640 -99.200 -91.000 TRP6 217 1.020 34.947 7.412 35.432 -99.200 -91.000 TYR 230 0.840 30.805 -0.999 32.053 -99.200 -91.000 HIS 235 0.900 29.798 -0.981 48.124 -99.200 -91.000 PHE 236 1.000 26.131 1.332 44.609 -99.200 -91.000 TRP 239 1.040 20.097 2.826 47.210 -99.200 -91.000 TRP6 239 1.020 19.344 2.542 44.984 -99.200 -91.000 HIS 243 0.900 16.097 3.000 48.492 -99.200 -91.000