============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TRP 21 1.040 54.818 15.838 -13.638 -99.200 -91.000 TRP6 21 1.020 52.853 16.198 -14.913 -99.200 -91.000 HIS 23 0.900 51.393 10.159 -5.409 -99.200 -91.000 TRP 50 1.040 43.888 7.628 0.627 -99.200 -91.000 TRP6 50 1.020 43.937 8.260 2.906 -99.200 -91.000 PHE 66 1.000 55.499 11.661 -16.080 -99.200 -91.000 HIS 77 0.900 53.239 8.444 7.764 -99.200 -91.000 HIS 79 0.900 49.691 6.752 10.522 -99.200 -91.000 HIS 97 0.900 64.521 2.410 -2.362 -99.200 -91.000 TYR 111 0.840 49.137 -1.200 6.041 -99.200 -91.000 PHE 126 1.000 66.033 6.920 -6.816 -99.200 -91.000 PHE 134 1.000 67.038 15.471 8.779 -99.200 -91.000 TYR 135 0.840 63.634 9.581 12.782 -99.200 -91.000 HIS 140 0.900 51.131 11.829 10.806 -99.200 -91.000 TRP 148 1.040 66.820 19.107 0.140 -99.200 -91.000 TRP6 148 1.020 65.676 21.174 0.307 -99.200 -91.000 TYR 152 0.840 64.246 19.650 -9.667 -99.200 -91.000 TYR 175 0.840 56.174 9.259 19.724 -99.200 -91.000 TRP 179 1.040 54.701 17.575 14.341 -99.200 -91.000 TRP6 179 1.020 52.520 16.676 14.130 -99.200 -91.000 TYR 190 0.840 66.539 19.551 4.133 -99.200 -91.000 HIS 200 0.900 46.274 14.398 4.458 -99.200 -91.000 HIS 211 0.900 49.203 27.138 9.618 -99.200 -91.000