============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 6 1.040 25.485 26.832 -12.732 -99.200 -91.000 TRP6 6 1.020 26.194 25.053 -11.340 -99.200 -91.000 TRP 8 1.040 27.639 33.314 -7.825 -99.200 -91.000 TRP6 8 1.020 29.721 32.501 -7.046 -99.200 -91.000 TYR 22 0.840 25.766 23.198 14.280 -99.200 -91.000 PHE 23 1.000 21.461 26.791 12.866 -99.200 -91.000 PHE 38 1.000 15.901 33.343 22.473 -99.200 -91.000 TYR 39 0.840 18.857 25.328 20.074 -99.200 -91.000 PHE 50 1.000 16.946 22.564 1.277 -99.200 -91.000 TYR 53 0.840 19.683 31.551 -1.608 -99.200 -91.000 TYR 60 0.840 7.562 27.420 -8.640 -99.200 -91.000 PHE 67 1.000 13.885 46.354 -14.986 -99.200 -91.000 TYR 75 0.840 17.273 34.247 -9.826 -99.200 -91.000 TRP 76 1.040 8.847 34.344 -8.172 -99.200 -91.000 TRP6 76 1.020 8.133 33.011 -6.350 -99.200 -91.000 TYR 79 0.840 12.744 40.966 -4.090 -99.200 -91.000 TRP 82 1.040 15.606 38.448 1.318 -99.200 -91.000 TRP6 82 1.020 16.016 40.070 -0.368 -99.200 -91.000 PHE 84 1.000 6.402 33.401 3.980 -99.200 -91.000 TYR 127 0.840 15.600 53.357 -14.608 -99.200 -91.000 TYR 129 0.840 5.629 55.224 -12.243 -99.200 -91.000 PHE 131 1.000 16.234 53.476 -9.120 -99.200 -91.000 TRP 133 1.040 6.739 50.865 -5.917 -99.200 -91.000 TRP6 133 1.020 4.928 51.042 -4.396 -99.200 -91.000 TRP 134 1.040 16.498 51.104 -2.918 -99.200 -91.000 TRP6 134 1.020 17.277 53.183 -2.083 -99.200 -91.000 TYR 143 0.840 8.832 52.189 12.825 -99.200 -91.000 TYR 146 0.840 13.795 55.835 16.399 -99.200 -91.000 PHE 149 1.000 21.324 50.542 16.830 -99.200 -91.000 PHE 150 1.000 17.993 56.014 19.036 -99.200 -91.000 PHE 152 1.000 13.321 45.136 20.182 -99.200 -91.000 PHE 167 1.000 18.766 43.894 21.495 -99.200 -91.000 TRP 178 1.040 18.304 42.940 9.107 -99.200 -91.000 TRP6 178 1.020 15.943 43.016 9.168 -99.200 -91.000 TYR 181 0.840 19.945 41.405 2.795 -99.200 -91.000 TRP 185 1.040 16.255 45.973 -5.519 -99.200 -91.000 TRP6 185 1.020 15.583 48.036 -6.464 -99.200 -91.000 PHE 204 1.000 20.344 41.138 -2.847 -99.200 -91.000 PHE 215 1.000 20.412 36.942 14.276 -99.200 -91.000 PHE 226 1.000 20.140 26.992 27.307 -99.200 -91.000