============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 27 0.840 54.488 33.145 54.255 -99.200 -91.000 TRP 34 1.040 37.914 30.826 52.439 -99.200 -91.000 TRP6 34 1.020 38.105 33.172 52.238 -99.200 -91.000 TRP 45 1.040 33.555 24.798 57.899 -99.200 -91.000 TRP6 45 1.020 33.790 22.829 56.608 -99.200 -91.000 TRP 48 1.040 39.143 21.279 56.109 -99.200 -91.000 TRP6 48 1.020 41.427 21.043 56.663 -99.200 -91.000 TYR 58 0.840 35.317 23.464 48.085 -99.200 -91.000 PHE 62 1.000 28.307 27.352 51.524 -99.200 -91.000 PHE 66 1.000 29.769 29.618 47.495 -99.200 -91.000 PHE 68 1.000 37.161 26.709 50.534 -99.200 -91.000 TYR 75 0.840 43.651 35.362 45.865 -99.200 -91.000 TYR 88 0.840 30.435 34.967 51.202 -99.200 -91.000 PHE 89 1.000 32.880 37.011 59.335 -99.200 -91.000 TRP 93 1.040 43.518 25.383 62.738 -99.200 -91.000 TRP6 93 1.020 42.062 25.571 60.884 -99.200 -91.000 TYR 99 0.840 45.820 33.299 65.373 -99.200 -91.000 TRP 100 1.040 37.372 32.945 63.000 -99.200 -91.000 TRP6 100 1.020 35.205 32.583 62.127 -99.200 -91.000 TYR 119 0.840 12.575 62.790 51.219 -99.200 -91.000 TYR 137 0.840 20.190 53.171 51.693 -99.200 -91.000 PHE 138 1.000 21.618 47.473 45.258 -99.200 -91.000 TRP 146 1.040 21.777 62.469 63.932 -99.200 -91.000 TRP6 146 1.020 19.918 63.649 63.066 -99.200 -91.000 HIS 156 0.900 17.488 55.146 68.762 -99.200 -91.000 PHE 158 1.000 14.915 53.272 64.716 -99.200 -91.000 TYR 167 0.840 19.243 47.273 50.900 -99.200 -91.000 TRP 180 1.040 16.131 71.749 66.208 -99.200 -91.000 TRP6 180 1.020 13.775 71.550 66.148 -99.200 -91.000 HIS 191 0.900 24.678 54.623 48.509 -99.200 -91.000