============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 32 0.840 18.532 52.733 17.457 -99.200 -91.000 HIS 34 0.900 15.204 46.891 19.219 -99.200 -91.000 TRP 35 1.040 16.472 43.711 26.791 -99.200 -91.000 TRP6 35 1.020 17.766 41.976 27.639 -99.200 -91.000 TYR 36 0.840 12.166 41.135 19.758 -99.200 -91.000 TYR 49 0.840 10.066 50.761 21.869 -99.200 -91.000 PHE 62 1.000 8.511 42.889 31.976 -99.200 -91.000 TYR 71 0.840 22.956 47.179 25.411 -99.200 -91.000 TYR 86 0.840 12.062 37.231 30.236 -99.200 -91.000 TYR 87 0.840 15.096 33.596 22.693 -99.200 -91.000 TYR 91 0.840 22.642 50.120 14.877 -99.200 -91.000 TYR 94 0.840 21.198 45.814 7.489 -99.200 -91.000 PHE 98 1.000 16.494 38.525 16.924 -99.200 -91.000 PHE 118 1.000 -8.708 10.619 31.726 -99.200 -91.000 PHE 135 1.000 -4.559 13.400 30.113 -99.200 -91.000 PHE 139 1.000 3.725 17.577 38.211 -99.200 -91.000 TYR 140 0.840 7.705 24.489 41.566 -99.200 -91.000 TRP 148 1.040 2.009 3.239 33.467 -99.200 -91.000 TRP6 148 1.020 -0.290 3.248 33.246 -99.200 -91.000 TRP 163 1.040 7.356 16.468 32.999 -99.200 -91.000 TRP6 163 1.020 8.762 14.773 32.259 -99.200 -91.000 TYR 173 0.840 7.119 23.612 35.558 -99.200 -91.000 TYR 186 0.840 -7.716 -3.473 27.883 -99.200 -91.000 HIS 189 0.900 -0.360 -9.416 31.866 -99.200 -91.000 TYR 192 0.840 -3.973 -3.631 32.140 -99.200 -91.000 HIS 198 0.900 5.464 16.157 43.282 -99.200 -91.000 PHE 209 1.000 -9.058 -0.309 33.713 -99.200 -91.000