============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TRP 12 1.040 25.312 8.946 54.640 -99.200 -91.000 TRP6 12 1.020 23.650 8.484 56.248 -99.200 -91.000 TRP 31 1.040 21.902 19.721 35.605 -99.200 -91.000 TRP6 31 1.020 19.594 19.769 36.042 -99.200 -91.000 PHE 33 1.000 21.974 10.991 36.202 -99.200 -91.000 HIS 43 0.900 12.189 8.935 51.365 -99.200 -91.000 PHE 79 1.000 19.357 19.846 46.530 -99.200 -91.000 TYR 81 0.840 10.724 20.513 39.424 -99.200 -91.000 TYR 94 0.840 9.407 12.583 33.921 -99.200 -91.000 TYR 96 0.840 19.517 10.197 32.151 -99.200 -91.000 PHE 117 1.000 17.595 25.138 48.110 -99.200 -91.000 PHE 148 1.000 37.217 13.937 38.568 -99.200 -91.000 PHE 150 1.000 40.879 8.565 29.564 -99.200 -91.000 TYR 151 0.840 39.659 7.392 40.784 -99.200 -91.000 HIS 152 0.900 40.818 0.655 37.804 -99.200 -91.000 PHE 156 1.000 41.750 12.629 40.847 -99.200 -91.000 HIS 166 0.900 30.543 15.598 36.768 -99.200 -91.000 TYR 173 0.840 33.825 11.489 57.639 -99.200 -91.000 PHE 183 1.000 38.765 6.892 52.000 -99.200 -91.000 TRP 184 1.040 36.590 15.065 51.184 -99.200 -91.000 TRP6 184 1.020 35.571 15.618 53.253 -99.200 -91.000 TRP 190 1.040 30.845 11.019 34.396 -99.200 -91.000 TRP6 190 1.020 33.001 11.848 34.890 -99.200 -91.000 TRP 194 1.040 35.410 7.822 35.765 -99.200 -91.000 TRP6 194 1.020 35.111 8.517 37.995 -99.200 -91.000 TYR 199 0.840 30.155 4.699 44.832 -99.200 -91.000 TYR 201 0.840 37.020 4.908 47.974 -99.200 -91.000 HIS 205 0.900 43.234 16.016 55.872 -99.200 -91.000 PHE 220 1.000 22.813 20.022 54.406 -99.200 -91.000