============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. PHE 5 1.000 15.797 39.410 23.791 -99.200 -91.000 TYR 8 0.840 10.709 33.757 27.859 -99.200 -91.000 HIS 11 0.900 9.364 38.941 30.045 -99.200 -91.000 HIS 13 0.900 2.312 43.563 23.086 -99.200 -91.000 PHE 18 1.000 -2.558 39.366 27.053 -99.200 -91.000 HIS 23 0.900 -7.540 34.846 34.616 -99.200 -91.000 PHE 26 1.000 -8.547 31.788 25.422 -99.200 -91.000 PHE 29 1.000 -13.118 26.830 31.275 -99.200 -91.000 TYR 31 0.840 -11.700 29.901 22.062 -99.200 -91.000 PHE 51 1.000 10.963 16.320 21.420 -99.200 -91.000 PHE 55 1.000 6.465 12.612 18.882 -99.200 -91.000 HIS 56 0.900 7.613 18.222 27.678 -99.200 -91.000 PHE 58 1.000 1.690 9.841 24.659 -99.200 -91.000 HIS 68 0.900 7.902 10.032 42.082 -99.200 -91.000 TRP 73 1.040 -1.459 10.730 42.521 -99.200 -91.000 TRP6 73 1.020 -0.170 12.710 42.586 -99.200 -91.000 PHE 74 1.000 4.534 13.210 40.488 -99.200 -91.000 HIS 75 0.900 2.525 6.473 36.900 -99.200 -91.000 HIS 81 0.900 4.058 18.980 31.538 -99.200 -91.000 PHE 90 1.000 -8.504 25.786 21.769 -99.200 -91.000 TRP 95 1.040 2.765 37.513 22.205 -99.200 -91.000 TRP6 95 1.020 1.156 38.623 23.525 -99.200 -91.000 PHE 102 1.000 5.769 38.481 33.605 -99.200 -91.000 PHE 114 1.000 16.103 36.229 27.336 -99.200 -91.000 PHE 119 1.000 9.014 42.436 32.341 -99.200 -91.000 TYR 130 0.840 -1.563 47.683 37.872 -99.200 -91.000 TYR 136 0.840 -0.428 40.688 43.299 -99.200 -91.000 HIS 139 0.900 4.666 37.956 53.974 -99.200 -91.000 TRP 148 1.040 -4.168 33.414 29.064 -99.200 -91.000 TRP6 148 1.020 -5.727 32.332 30.453 -99.200 -91.000 HIS 150 0.900 2.366 26.275 29.614 -99.200 -91.000 TYR 153 0.840 -6.830 26.908 28.053 -99.200 -91.000 TYR 154 0.840 -6.313 25.986 39.245 -99.200 -91.000 PHE 158 1.000 -16.743 24.387 32.723 -99.200 -91.000 PHE 161 1.000 -9.007 17.084 33.878 -99.200 -91.000 PHE 168 1.000 -7.317 19.981 40.033 -99.200 -91.000 TYR 169 0.840 0.911 25.261 44.410 -99.200 -91.000 PHE 172 1.000 0.550 28.749 41.282 -99.200 -91.000 HIS 173 0.900 3.810 23.606 33.943 -99.200 -91.000 PHE 175 1.000 5.991 32.657 40.050 -99.200 -91.000 TYR 176 0.840 14.244 29.666 36.121 -99.200 -91.000 TRP 178 1.040 7.347 30.020 44.618 -99.200 -91.000 TRP6 178 1.020 6.300 27.978 44.026 -99.200 -91.000 HIS 179 0.900 9.702 26.267 39.237 -99.200 -91.000 TYR 184 0.840 8.047 37.579 41.367 -99.200 -91.000 TRP 197 1.040 3.451 17.642 46.955 -99.200 -91.000 TRP6 197 1.020 3.459 15.339 46.358 -99.200 -91.000 PHE 201 1.000 5.493 18.524 36.186 -99.200 -91.000 PHE 204 1.000 10.546 12.824 37.584 -99.200 -91.000 TYR 216 0.840 -0.298 3.512 32.753 -99.200 -91.000 TYR 217 0.840 0.741 7.521 30.149 -99.200 -91.000 TYR 224 0.840 -6.562 9.390 38.729 -99.200 -91.000 TRP 231 1.040 -10.483 20.476 26.033 -99.200 -91.000 TRP6 231 1.020 -8.360 20.227 27.027 -99.200 -91.000