============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 8 1.000 43.882 13.958 76.018 -99.200 -91.000 TYR 14 0.840 53.311 8.408 80.440 -99.200 -91.000 TYR 16 0.840 51.671 18.601 77.509 -99.200 -91.000 PHE 23 1.000 59.022 21.201 87.163 -99.200 -91.000 HIS 33 0.900 53.436 25.232 95.017 -99.200 -91.000 TYR 39 0.840 55.666 22.127 82.287 -99.200 -91.000 PHE 47 1.000 50.431 23.773 75.025 -99.200 -91.000 TYR 52 0.840 42.782 36.384 83.401 -99.200 -91.000 TYR 55 0.840 52.113 34.614 92.013 -99.200 -91.000 TYR 61 0.840 47.042 20.676 109.232 -99.200 -91.000 TYR 75 0.840 42.831 28.402 75.476 -99.200 -91.000 HIS 88 0.900 45.130 18.454 93.684 -99.200 -91.000 TRP 89 1.040 49.144 24.522 90.809 -99.200 -91.000 TRP6 89 1.020 51.397 24.840 91.351 -99.200 -91.000 PHE 121 1.000 46.468 23.881 84.907 -99.200 -91.000 PHE 122 1.000 40.150 25.500 91.438 -99.200 -91.000 TYR 127 0.840 50.486 21.950 103.913 -99.200 -91.000 TRP 130 1.040 41.450 17.847 102.385 -99.200 -91.000 TRP6 130 1.020 40.950 16.906 104.487 -99.200 -91.000 TYR 136 0.840 42.587 34.369 96.821 -99.200 -91.000 TRP 137 1.040 38.889 30.932 90.303 -99.200 -91.000 TRP6 137 1.020 36.798 29.933 89.884 -99.200 -91.000 HIS 142 0.900 39.504 33.939 85.884 -99.200 -91.000 TYR 146 0.840 34.607 32.273 85.525 -99.200 -91.000 TYR 150 0.840 28.961 21.742 81.443 -99.200 -91.000 PHE 163 1.000 37.924 8.235 85.458 -99.200 -91.000 TYR 164 0.840 31.788 3.167 90.293 -99.200 -91.000 TYR 165 0.840 26.028 8.589 86.894 -99.200 -91.000 TYR 168 0.840 28.579 19.309 96.271 -99.200 -91.000 TRP 180 1.040 29.783 8.663 84.246 -99.200 -91.000 TRP6 180 1.020 30.966 10.525 85.063 -99.200 -91.000 HIS 184 0.900 28.590 4.087 79.266 -99.200 -91.000 TYR 188 0.840 37.335 6.608 74.880 -99.200 -91.000 TYR 191 0.840 39.061 3.637 80.505 -99.200 -91.000 PHE 192 1.000 34.326 9.104 81.728 -99.200 -91.000 HIS 204 0.900 33.241 17.981 93.459 -99.200 -91.000 TYR 206 0.840 35.161 23.935 99.565 -99.200 -91.000 TYR 221 0.840 33.797 4.534 94.814 -99.200 -91.000 TYR 240 0.840 36.837 21.060 70.403 -99.200 -91.000