============================================================================= 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 7 1.040 13.687 36.695 9.590 -99.200 -91.000 TRP6 7 1.020 13.791 36.840 11.939 -99.200 -91.000 TYR 9 0.840 15.050 40.574 16.169 -99.200 -91.000 TRP 15 1.040 10.444 41.434 10.795 -99.200 -91.000 TRP6 15 1.020 10.273 40.500 12.953 -99.200 -91.000 PHE 19 1.000 9.085 36.701 6.703 -99.200 -91.000 TYR 26 0.840 -7.186 38.693 17.692 -99.200 -91.000 TYR 39 0.840 -8.622 33.019 40.004 -99.200 -91.000 TYR 52 0.840 9.685 21.355 30.574 -99.200 -91.000 HIS 65 0.900 17.160 35.312 11.687 -99.200 -91.000 HIS 86 0.900 -5.721 18.320 22.696 -99.200 -91.000 PHE 88 1.000 -0.187 21.940 23.404 -99.200 -91.000 TYR 91 0.840 11.967 21.901 17.280 -99.200 -91.000 PHE 95 1.000 18.711 30.786 25.575 -99.200 -91.000 HIS 96 0.900 13.557 36.320 21.270 -99.200 -91.000 TRP 97 1.040 21.302 38.837 23.603 -99.200 -91.000 TRP6 97 1.020 20.930 36.945 22.238 -99.200 -91.000 HIS 107 0.900 5.472 38.124 25.577 -99.200 -91.000 PHE 111 1.000 2.859 50.322 29.529 -99.200 -91.000 PHE 114 1.000 11.250 41.511 33.953 -99.200 -91.000 HIS 119 0.900 10.026 33.707 23.625 -99.200 -91.000 HIS 122 0.900 6.452 23.645 25.836 -99.200 -91.000 TRP 123 1.040 6.098 19.259 18.584 -99.200 -91.000 TRP6 123 1.020 5.052 17.367 17.637 -99.200 -91.000 PHE 128 1.000 -2.123 20.496 14.705 -99.200 -91.000 HIS 139 0.900 -6.830 25.019 21.193 -99.200 -91.000 PHE 147 1.000 8.569 38.352 31.469 -99.200 -91.000 HIS 154 0.900 19.701 28.631 34.875 -99.200 -91.000 TYR 169 0.840 31.984 35.060 13.373 -99.200 -91.000 PHE 179 1.000 19.175 23.372 28.564 -99.200 -91.000 TYR 193 0.840 -0.351 29.362 34.297 -99.200 -91.000 TRP 194 1.040 -0.229 37.586 34.411 -99.200 -91.000 TRP6 194 1.020 1.975 38.169 35.011 -99.200 -91.000 TYR 196 0.840 -0.257 37.049 24.879 -99.200 -91.000 TRP 211 1.040 2.743 33.927 23.036 -99.200 -91.000 TRP6 211 1.020 5.104 33.820 23.183 -99.200 -91.000 PHE 214 1.000 5.998 29.181 34.556 -99.200 -91.000 TYR 216 0.840 11.048 34.129 41.375 -99.200 -91.000 PHE 228 1.000 22.756 33.929 25.792 -99.200 -91.000 HIS 234 0.900 24.464 39.766 8.455 -99.200 -91.000 PHE 252 1.000 14.179 44.810 22.259 -99.200 -91.000 PHE 267 1.000 -1.025 35.690 39.140 -99.200 -91.000