============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 2 0.840 1.341 24.622 65.222 -99.200 -91.000 PHE 25 1.000 20.811 30.720 37.316 -99.200 -91.000 HIS 37 0.900 13.158 45.355 22.204 -99.200 -91.000 HIS 43 0.900 -0.660 46.370 23.741 -99.200 -91.000 HIS 63 0.900 13.471 15.279 27.480 -99.200 -91.000 TYR 71 0.840 12.616 23.556 18.929 -99.200 -91.000 TYR 92 0.840 3.651 25.419 27.627 -99.200 -91.000 PHE 93 1.000 10.704 25.221 32.332 -99.200 -91.000 TRP 102 1.040 10.164 14.258 34.467 -99.200 -91.000 TRP6 102 1.020 10.173 15.843 32.714 -99.200 -91.000 HIS 110 0.900 18.775 16.052 39.373 -99.200 -91.000 PHE 114 1.000 9.526 13.412 43.235 -99.200 -91.000 PHE 141 1.000 3.728 31.902 34.424 -99.200 -91.000 TYR 148 0.840 10.499 30.658 43.104 -99.200 -91.000 TRP 154 1.040 1.192 34.215 24.604 -99.200 -91.000 TRP6 154 1.020 0.760 31.905 24.922 -99.200 -91.000 HIS 167 0.900 -4.921 28.033 38.402 -99.200 -91.000 PHE 180 1.000 -7.397 33.324 30.935 -99.200 -91.000 HIS 202 0.900 -10.140 39.500 39.582 -99.200 -91.000 PHE 204 1.000 -2.202 36.370 42.400 -99.200 -91.000 TRP 210 1.040 13.804 39.576 51.020 -99.200 -91.000 TRP6 210 1.020 14.491 40.723 49.062 -99.200 -91.000 HIS 212 0.900 9.696 36.289 53.847 -99.200 -91.000 HIS 225 0.900 -4.207 34.709 22.907 -99.200 -91.000 TYR 236 0.840 -8.606 21.628 12.277 -99.200 -91.000 HIS 240 0.900 -15.605 23.692 15.121 -99.200 -91.000 PHE 260 1.000 -1.544 25.074 13.282 -99.200 -91.000 HIS 262 0.900 -1.562 20.025 23.349 -99.200 -91.000 PHE 269 1.000 4.385 12.422 14.952 -99.200 -91.000 HIS 296 0.900 12.526 18.292 21.486 -99.200 -91.000 TYR 312 0.840 20.282 16.145 21.306 -99.200 -91.000 TRP 323 1.040 14.653 22.061 12.227 -99.200 -91.000 TRP6 323 1.020 13.849 23.855 13.541 -99.200 -91.000