============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 9 1.000 -2.284 -21.821 25.455 -99.200 -91.000 PHE 34 1.000 9.104 -27.751 25.521 -99.200 -91.000 TYR 39 0.840 4.331 -20.296 32.236 -99.200 -91.000 TYR 42 0.840 1.342 -14.850 33.963 -99.200 -91.000 PHE 44 1.000 -7.094 -17.867 26.537 -99.200 -91.000 TYR 46 0.840 -3.219 -11.367 34.140 -99.200 -91.000 HIS 50 0.900 -3.233 -9.190 19.935 -99.200 -91.000 TYR 53 0.840 -10.710 -15.103 27.095 -99.200 -91.000 HIS 59 0.900 -4.983 -24.376 38.258 -99.200 -91.000 PHE 74 1.000 -4.215 -34.420 25.509 -99.200 -91.000 TRP 83 1.040 -3.781 -35.008 18.345 -99.200 -91.000 TRP6 83 1.020 -4.063 -33.017 19.562 -99.200 -91.000 TYR 90 0.840 -11.079 -30.685 10.593 -99.200 -91.000 TYR 98 0.840 6.858 -31.881 15.841 -99.200 -91.000 HIS 107 0.900 -0.062 -32.982 15.579 -99.200 -91.000 TYR 136 0.840 -9.679 -29.619 2.534 -99.200 -91.000 HIS 161 0.900 -1.860 -11.650 -12.891 -99.200 -91.000 PHE 164 1.000 -5.914 -2.105 -12.371 -99.200 -91.000 HIS 175 0.900 6.584 -9.547 10.368 -99.200 -91.000 TYR 177 0.840 9.412 -6.549 19.193 -99.200 -91.000 TRP 192 1.040 25.699 -15.561 11.540 -99.200 -91.000 TRP6 192 1.020 27.889 -15.134 10.748 -99.200 -91.000 HIS 199 0.900 13.131 -5.600 22.345 -99.200 -91.000 PHE 229 1.000 14.585 -3.178 5.104 -99.200 -91.000 TYR 251 0.840 -2.818 4.989 -5.433 -99.200 -91.000 TYR 272 0.840 -10.226 1.917 -0.482 -99.200 -91.000 PHE 282 1.000 -4.862 -0.692 9.881 -99.200 -91.000 HIS 287 0.900 -11.132 -6.634 7.604 -99.200 -91.000 PHE 291 1.000 -4.804 -0.021 -1.682 -99.200 -91.000 PHE 303 1.000 8.245 1.168 -11.100 -99.200 -91.000 TRP 309 1.040 -1.451 -0.227 7.339 -99.200 -91.000 TRP6 309 1.020 0.539 0.189 8.536 -99.200 -91.000 TYR 310 0.840 1.382 -8.505 7.233 -99.200 -91.000 TYR 314 0.840 -7.820 -10.765 16.820 -99.200 -91.000 TYR 316 0.840 -0.985 -17.478 9.881 -99.200 -91.000 HIS 318 0.900 -10.718 -13.251 13.603 -99.200 -91.000 TYR 326 0.840 -13.223 -24.120 2.042 -99.200 -91.000 PHE 328 1.000 -16.966 -30.219 10.966 -99.200 -91.000