============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 12 1.000 4.806 9.308 -10.582 -99.200 -91.000 TYR 39 0.840 9.637 -0.154 14.990 -99.200 -91.000 PHE 40 1.000 12.836 2.476 18.468 -99.200 -91.000 HIS 48 0.900 13.837 -11.103 27.289 -99.200 -91.000 HIS 56 0.900 11.144 -4.179 9.300 -99.200 -91.000 HIS 72 0.900 16.329 -17.288 18.710 -99.200 -91.000 TRP 74 1.040 25.465 -14.786 13.003 -99.200 -91.000 TRP6 74 1.020 25.407 -12.584 13.858 -99.200 -91.000 PHE 89 1.000 1.502 6.859 2.910 -99.200 -91.000 PHE 94 1.000 1.767 -11.449 3.277 -99.200 -91.000 TRP 95 1.040 10.456 -8.995 0.004 -99.200 -91.000 TRP6 95 1.020 10.984 -7.404 -1.673 -99.200 -91.000 TYR 133 0.840 5.947 -2.070 27.500 -99.200 -91.000 PHE 137 1.000 -0.871 -3.465 25.333 -99.200 -91.000 PHE 141 1.000 -5.145 -0.523 22.177 -99.200 -91.000 PHE 150 1.000 0.843 -10.997 18.202 -99.200 -91.000 PHE 160 1.000 6.993 4.383 16.327 -99.200 -91.000 PHE 171 1.000 8.435 12.675 -8.361 -99.200 -91.000 TYR 174 0.840 9.094 18.035 -11.095 -99.200 -91.000 PHE 193 1.000 9.549 5.624 -12.516 -99.200 -91.000 HIS 202 0.900 8.602 -0.368 -9.835 -99.200 -91.000 TYR 212 0.840 0.903 -9.017 -4.159 -99.200 -91.000 PHE 213 1.000 2.533 -5.566 -11.363 -99.200 -91.000 PHE 215 1.000 6.738 -9.926 -15.574 -99.200 -91.000 PHE 223 1.000 22.556 -10.887 -9.234 -99.200 -91.000 TYR 233 0.840 6.276 -17.507 -5.897 -99.200 -91.000 PHE 235 1.000 8.993 -13.024 -7.390 -99.200 -91.000 TYR 247 0.840 22.529 0.935 1.050 -99.200 -91.000 TYR 249 0.840 18.735 -0.981 -4.320 -99.200 -91.000 PHE 250 1.000 15.989 -6.095 -8.251 -99.200 -91.000 HIS 251 0.900 13.490 -12.607 -5.132 -99.200 -91.000 TRP 256 1.040 25.022 -5.887 -2.036 -99.200 -91.000 TRP6 256 1.020 25.022 -5.089 0.179 -99.200 -91.000 PHE 270 1.000 9.458 -5.670 -16.258 -99.200 -91.000 PHE 285 1.000 12.058 10.105 -10.727 -99.200 -91.000 TYR 298 0.840 16.489 3.529 21.715 -99.200 -91.000