============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 18 1.040 -16.818 -18.993 18.502 -99.200 -91.000 TRP6 18 1.020 -14.742 -17.887 18.633 -99.200 -91.000 PHE 33 1.000 -2.164 -20.817 35.242 -99.200 -91.000 TYR 43 0.840 4.153 -20.817 22.763 -99.200 -91.000 PHE 58 1.000 -3.786 -23.124 20.932 -99.200 -91.000 PHE 60 1.000 -8.835 -21.723 17.495 -99.200 -91.000 PHE 74 1.000 -13.068 -13.463 15.274 -99.200 -91.000 TRP 76 1.040 -5.856 -13.454 21.949 -99.200 -91.000 TRP6 76 1.020 -6.392 -12.742 19.757 -99.200 -91.000 PHE 79 1.000 -0.983 -16.090 34.580 -99.200 -91.000 TYR 80 0.840 2.628 -14.269 27.056 -99.200 -91.000 PHE 84 1.000 6.384 -17.007 27.035 -99.200 -91.000 PHE 86 1.000 6.631 -11.879 26.656 -99.200 -91.000 HIS 92 0.900 -0.869 -13.604 21.206 -99.200 -91.000 PHE 96 1.000 -5.231 -15.406 7.704 -99.200 -91.000 HIS 99 0.900 -10.110 -17.044 -3.324 -99.200 -91.000 TYR 105 0.840 8.208 -15.647 6.160 -99.200 -91.000 HIS 107 0.900 2.912 -11.052 0.532 -99.200 -91.000 TRP 118 1.040 5.736 -12.953 21.536 -99.200 -91.000 TRP6 118 1.020 4.910 -15.029 20.785 -99.200 -91.000 TYR 127 0.840 3.549 -10.035 10.553 -99.200 -91.000 TYR 129 0.840 2.100 -11.987 5.304 -99.200 -91.000 HIS 146 0.900 8.603 -8.945 7.734 -99.200 -91.000 PHE 150 1.000 0.789 -0.716 9.475 -99.200 -91.000 PHE 151 1.000 -1.788 0.019 15.556 -99.200 -91.000 PHE 155 1.000 -1.072 -1.433 21.473 -99.200 -91.000 TYR 161 0.840 7.220 -11.628 32.337 -99.200 -91.000 TRP 164 1.040 -5.889 -14.717 33.595 -99.200 -91.000 TRP6 164 1.020 -5.512 -16.394 31.972 -99.200 -91.000 PHE 176 1.000 -14.810 -3.579 -2.384 -99.200 -91.000 TYR 188 0.840 -11.085 -2.197 17.178 -99.200 -91.000 TRP 203 1.040 -8.837 -4.465 5.873 -99.200 -91.000 TRP6 203 1.020 -6.887 -5.599 6.593 -99.200 -91.000 PHE 214 1.000 -9.488 -15.874 15.795 -99.200 -91.000 TRP 216 1.040 -4.620 -19.550 18.442 -99.200 -91.000 TRP6 216 1.020 -4.606 -17.365 19.359 -99.200 -91.000 PHE 219 1.000 3.922 -19.025 13.795 -99.200 -91.000 PHE 220 1.000 8.494 -18.082 21.624 -99.200 -91.000 TYR 233 0.840 -0.911 -21.710 31.800 -99.200 -91.000 PHE 234 1.000 -2.286 -17.841 23.783 -99.200 -91.000 PHE 237 1.000 -8.606 -18.355 22.080 -99.200 -91.000 TYR 242 0.840 -14.012 -1.952 13.438 -99.200 -91.000