============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. PHE 15 1.000 20.272-145.541 6.582 -99.200 -91.000 HIS 28 0.900 10.839-151.490 -11.886 -99.200 -91.000 TYR 35 0.840 20.438-156.952 2.535 -99.200 -91.000 TYR 58 0.840 -6.781-161.688 9.499 -99.200 -91.000 HIS 61 0.900 -6.076-156.163 13.619 -99.200 -91.000 TRP 70 1.040 -5.354-150.190 20.099 -99.200 -91.000 TRP6 70 1.020 -5.637-151.582 18.215 -99.200 -91.000 HIS 78 0.900 -0.933-147.079 16.830 -99.200 -91.000 TYR 79 0.840 -6.898-146.660 15.260 -99.200 -91.000 TRP 88 1.040 8.535-150.266 -7.447 -99.200 -91.000 TRP6 88 1.020 7.456-148.827 -8.986 -99.200 -91.000 TRP 100 1.040 -1.854-162.307 -10.936 -99.200 -91.000 TRP6 100 1.020 -0.570-161.106 -9.361 -99.200 -91.000 TYR 123 0.840 -7.090-143.684 12.432 -99.200 -91.000 TYR 128 0.840 -1.844-136.751 10.696 -99.200 -91.000 PHE 133 1.000 -14.543-138.920 7.383 -99.200 -91.000 TYR 146 0.840 -16.779-154.121 14.162 -99.200 -91.000 TYR 153 0.840 -10.020-136.741 0.773 -99.200 -91.000 TYR 160 0.840 -11.636-140.288 2.753 -99.200 -91.000 TYR 161 0.840 -12.144-141.734 -6.564 -99.200 -91.000 TRP 168 1.040 -20.875-153.717 4.266 -99.200 -91.000 TRP6 168 1.020 -20.298-151.576 3.428 -99.200 -91.000 HIS 171 0.900 -21.102-160.386 9.972 -99.200 -91.000 PHE 173 1.000 -16.646-158.994 3.826 -99.200 -91.000 TYR 174 0.840 -8.590-157.856 8.230 -99.200 -91.000 PHE 180 1.000 -17.218-162.951 -1.092 -99.200 -91.000 PHE 182 1.000 -10.228-155.874 -5.770 -99.200 -91.000 TYR 183 0.840 -20.264-160.433 -5.308 -99.200 -91.000 TRP 184 1.040 -19.603-157.773 0.925 -99.200 -91.000 TRP6 184 1.020 -21.441-159.252 0.892 -99.200 -91.000 HIS 186 0.900 -16.257-152.790 -7.536 -99.200 -91.000 PHE 204 1.000 -14.596-135.412 3.924 -99.200 -91.000 PHE 206 1.000 -16.172-143.172 2.494 -99.200 -91.000 PHE 212 1.000 -11.231-151.419 -15.582 -99.200 -91.000 PHE 227 1.000 -9.479-145.336 -15.670 -99.200 -91.000 PHE 229 1.000 -9.409-142.332 -10.826 -99.200 -91.000 PHE 236 1.000 -0.849-154.852 -13.171 -99.200 -91.000 TYR 237 0.840 -5.316-155.521 -5.012 -99.200 -91.000 HIS 238 0.900 -3.117-165.161 -7.284 -99.200 -91.000 HIS 242 0.900 -7.103-165.753 2.640 -99.200 -91.000 TYR 243 0.840 -6.538-155.601 3.205 -99.200 -91.000 TRP 253 1.040 3.174-148.339 -7.795 -99.200 -91.000 TRP6 253 1.020 1.028-147.337 -7.840 -99.200 -91.000 TYR 257 0.840 6.563-143.792 -16.048 -99.200 -91.000 HIS 268 0.900 4.454-112.477 -15.259 -99.200 -91.000 HIS 272 0.900 -5.703-110.556 -16.138 -99.200 -91.000