============================================================================= 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 9 1.000 -27.279 8.184-148.562 -99.200 -91.000 PHE 11 1.000 -19.247 -2.221-151.000 -99.200 -91.000 TYR 20 0.840 -10.869 6.816-159.757 -99.200 -91.000 HIS 25 0.900 -8.540 18.499-160.095 -99.200 -91.000 TYR 44 0.840 -25.537 17.658-131.771 -99.200 -91.000 HIS 49 0.900 -21.091 14.889-141.146 -99.200 -91.000 PHE 52 1.000 -13.614 12.305-151.236 -99.200 -91.000 HIS 54 0.900 -23.195 17.283-149.148 -99.200 -91.000 PHE 59 1.000 -21.187 9.648-158.302 -99.200 -91.000 TYR 60 0.840 -26.275 5.503-153.171 -99.200 -91.000 PHE 74 1.000 -33.466 9.717-174.284 -99.200 -91.000 PHE 76 1.000 -30.265 12.969-175.697 -99.200 -91.000 HIS 90 0.900 -22.998 19.735-153.983 -99.200 -91.000 HIS 94 0.900 -19.394 25.274-148.671 -99.200 -91.000 PHE 97 1.000 -13.844 25.744-138.828 -99.200 -91.000 HIS 99 0.900 -20.376 29.240-141.189 -99.200 -91.000 HIS 111 0.900 -21.432 27.907-150.716 -99.200 -91.000 PHE 133 1.000 -22.939 25.085-159.723 -99.200 -91.000 TYR 137 0.840 -29.131 20.768-171.106 -99.200 -91.000 PHE 141 1.000 -35.453 16.091-165.978 -99.200 -91.000 HIS 143 0.900 -30.225 24.712-161.334 -99.200 -91.000 TYR 156 0.840 -27.860 20.014-146.369 -99.200 -91.000 PHE 162 1.000 -24.801 6.979-140.078 -99.200 -91.000 TYR 163 0.840 -20.930 10.252-140.373 -99.200 -91.000 TYR 194 0.840 -49.643 10.413-145.394 -99.200 -91.000 PHE 199 1.000 -36.730 17.005-147.579 -99.200 -91.000 TYR 206 0.840 -32.730 27.212-138.922 -99.200 -91.000 TRP 207 1.040 -35.882 25.704-134.765 -99.200 -91.000 TRP6 207 1.020 -35.051 27.887-134.413 -99.200 -91.000 TYR 210 0.840 -28.084 21.709-140.221 -99.200 -91.000 HIS 212 0.900 -26.809 22.965-129.230 -99.200 -91.000 TYR 218 0.840 -15.972 25.671-131.025 -99.200 -91.000 PHE 239 1.000 2.708 28.392-137.140 -99.200 -91.000 HIS 245 0.900 1.878 36.258-144.115 -99.200 -91.000 PHE 246 1.000 -3.212 36.395-150.926 -99.200 -91.000 PHE 247 1.000 -7.090 34.097-148.633 -99.200 -91.000 TYR 249 0.840 0.500 39.038-141.370 -99.200 -91.000 HIS 254 0.900 -17.254 40.449-155.714 -99.200 -91.000 PHE 257 1.000 -11.454 34.508-153.882 -99.200 -91.000 HIS 258 0.900 -15.108 37.310-158.319 -99.200 -91.000 PHE 267 1.000 -11.390 29.869-150.503 -99.200 -91.000 TRP 276 1.040 -9.521 23.002-136.126 -99.200 -91.000 TRP6 276 1.020 -10.486 23.724-134.105 -99.200 -91.000 TRP 282 1.040 -2.490 32.612-134.297 -99.200 -91.000 TRP6 282 1.020 -4.363 33.020-135.646 -99.200 -91.000 HIS 285 0.900 0.384 36.825-130.670 -99.200 -91.000 PHE 302 1.000 -16.917 34.198-126.393 -99.200 -91.000 TYR 336 0.840 -11.631 41.778-131.417 -99.200 -91.000 PHE 337 1.000 -12.226 38.118-125.087 -99.200 -91.000 TYR 344 0.840 -35.590 26.206-144.298 -99.200 -91.000 TYR 355 0.840 -52.825 13.335-155.404 -99.200 -91.000 TYR 381 0.840 -33.929 39.050-131.709 -99.200 -91.000 TYR 382 0.840 -29.017 31.876-130.916 -99.200 -91.000 TYR 385 0.840 -22.546 36.199-121.054 -99.200 -91.000