============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 2 1.000 -50.190 1.496 16.001 -99.200 -91.000 TYR 9 0.840 -34.611 10.803 4.835 -99.200 -91.000 HIS 17 0.900 -33.190 19.412 -3.865 -99.200 -91.000 TYR 25 0.840 -40.970 24.004 13.676 -99.200 -91.000 HIS 26 0.900 -44.259 17.092 6.986 -99.200 -91.000 TYR 27 0.840 -39.310 11.822 12.474 -99.200 -91.000 HIS 30 0.900 -47.281 19.831 11.438 -99.200 -91.000 HIS 31 0.900 -44.688 10.422 11.060 -99.200 -91.000 TYR 34 0.840 -51.162 13.941 11.882 -99.200 -91.000 PHE 47 1.000 -60.697 1.305 15.854 -99.200 -91.000 PHE 64 1.000 -59.246 7.386 7.480 -99.200 -91.000 TRP 71 1.040 -49.434 2.955 6.068 -99.200 -91.000 TRP6 71 1.020 -49.341 3.621 3.801 -99.200 -91.000 HIS 73 0.900 -47.520 13.066 7.990 -99.200 -91.000 PHE 75 1.000 -46.094 4.970 0.385 -99.200 -91.000 TYR 76 0.840 -43.506 13.725 2.499 -99.200 -91.000 TRP 77 1.040 -41.297 11.126 7.477 -99.200 -91.000 TRP6 77 1.020 -41.027 13.396 6.868 -99.200 -91.000 PHE 100 1.000 -49.148 7.371 -15.069 -99.200 -91.000 PHE 103 1.000 -39.872 10.243 -14.640 -99.200 -91.000 PHE 106 1.000 -45.330 9.598 -12.394 -99.200 -91.000 PHE 110 1.000 -46.941 12.577 -7.873 -99.200 -91.000 PHE 118 1.000 -59.231 25.017 -2.790 -99.200 -91.000 TRP 122 1.040 -51.486 12.921 2.638 -99.200 -91.000 TRP6 122 1.020 -49.209 12.656 3.221 -99.200 -91.000 TRP 124 1.040 -52.161 9.255 -2.215 -99.200 -91.000 TRP6 124 1.020 -50.982 8.268 -0.416 -99.200 -91.000 TRP 158 1.040 -52.215 17.479 5.124 -99.200 -91.000 TRP6 158 1.020 -53.410 18.023 7.088 -99.200 -91.000 HIS 160 0.900 -48.271 19.486 7.756 -99.200 -91.000 TYR 162 0.840 -46.794 23.737 0.124 -99.200 -91.000 TYR 163 0.840 -46.925 29.286 3.670 -99.200 -91.000 TYR 166 0.840 -39.711 24.665 -1.883 -99.200 -91.000 TYR 173 0.840 -43.628 19.958 -1.291 -99.200 -91.000 HIS 176 0.900 -36.028 22.816 -5.401 -99.200 -91.000 PHE 177 1.000 -42.375 14.104 -4.742 -99.200 -91.000 TRP 178 1.040 -41.227 16.006 -9.935 -99.200 -91.000 TRP6 178 1.020 -42.268 13.883 -9.981 -99.200 -91.000 TRP 183 1.040 -37.123 7.583 -9.138 -99.200 -91.000 TRP6 183 1.020 -39.444 7.752 -9.573 -99.200 -91.000 PHE 185 1.000 -41.317 3.220 0.313 -99.200 -91.000