============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 9 1.000 5.998 -33.272 20.199 -99.200 -91.000 HIS 16 0.900 -2.376 -39.300 7.273 -99.200 -91.000 TYR 28 0.840 10.702 -31.034 18.424 -99.200 -91.000 PHE 33 1.000 -0.439 -43.336 16.364 -99.200 -91.000 HIS 34 0.900 -1.305 -44.824 23.508 -99.200 -91.000 HIS 51 0.900 8.589 -32.131 27.967 -99.200 -91.000 PHE 52 1.000 5.272 -29.412 22.469 -99.200 -91.000 HIS 60 0.900 -14.843 -35.256 26.885 -99.200 -91.000 PHE 78 1.000 -2.394 -33.335 15.669 -99.200 -91.000 PHE 98 1.000 -0.564 -23.502 18.764 -99.200 -91.000 PHE 102 1.000 -10.358 -21.575 8.372 -99.200 -91.000 HIS 131 0.900 -29.558 -51.348 -2.110 -99.200 -91.000 TRP 135 1.040 -36.877 -51.400 -13.067 -99.200 -91.000 TRP6 135 1.020 -34.591 -51.989 -13.160 -99.200 -91.000 PHE 143 1.000 -35.091 -31.541 -13.946 -99.200 -91.000 TYR 155 0.840 -17.680 -17.361 -3.106 -99.200 -91.000 HIS 157 0.900 -10.900 -20.445 4.800 -99.200 -91.000 TYR 171 0.840 -25.430 -21.327 -16.230 -99.200 -91.000 TYR 173 0.840 -26.455 -16.999 -10.144 -99.200 -91.000 PHE 174 1.000 -20.403 -14.855 -3.704 -99.200 -91.000 TYR 175 0.840 -27.296 -13.394 2.085 -99.200 -91.000 HIS 191 0.900 -31.722 -7.216 -1.332 -99.200 -91.000 HIS 204 0.900 -21.010 -25.349 2.053 -99.200 -91.000 HIS 248 0.900 -41.424 -24.961 -2.273 -99.200 -91.000 PHE 257 1.000 -28.528 -35.273 10.851 -99.200 -91.000 PHE 268 1.000 -29.557 -39.737 12.399 -99.200 -91.000 PHE 275 1.000 -39.605 -36.837 4.540 -99.200 -91.000 HIS 283 0.900 -20.449 -33.099 12.353 -99.200 -91.000 TYR 306 0.840 4.408 -22.528 22.559 -99.200 -91.000 PHE 318 1.000 -0.437 -18.476 25.710 -99.200 -91.000 HIS 326 0.900 14.572 -10.835 10.922 -99.200 -91.000 HIS 332 0.900 8.827 -13.891 31.800 -99.200 -91.000 HIS 334 0.900 4.600 -11.740 31.275 -99.200 -91.000 PHE 348 1.000 16.694 -9.215 28.261 -99.200 -91.000 TYR 359 0.840 3.964 -9.599 18.101 -99.200 -91.000 TYR 367 0.840 4.535 -16.351 24.225 -99.200 -91.000 TYR 398 0.840 15.934 -18.794 17.514 -99.200 -91.000