============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 27 0.900 -12.401 7.380 -1.133 -99.200 -91.000 TYR 31 0.840 -7.074 7.874 -8.876 -99.200 -91.000 TRP 32 1.040 -13.078 0.405 -9.704 -99.200 -91.000 TRP6 32 1.020 -12.584 -1.938 -9.687 -99.200 -91.000 TYR 33 0.840 -5.519 2.211 -12.727 -99.200 -91.000 HIS 39 0.900 4.092 -7.476 -17.949 -99.200 -91.000 HIS 45 0.900 -16.151 1.990 -15.222 -99.200 -91.000 TYR 46 0.840 -10.567 8.939 -14.910 -99.200 -91.000 TYR 48 0.840 -12.773 15.053 -10.088 -99.200 -91.000 TYR 62 0.840 -15.528 -1.456 -18.855 -99.200 -91.000 PHE 72 1.000 -16.351 4.090 -9.409 -99.200 -91.000 TYR 87 0.840 -12.972 -6.677 -13.543 -99.200 -91.000 PHE 88 1.000 -5.403 -6.004 -8.104 -99.200 -91.000 PHE 100 1.000 -5.138 5.958 1.329 -99.200 -91.000 PHE 101 1.000 -3.148 -0.218 -5.652 -99.200 -91.000 TYR 114 0.840 -11.575 -31.115 -25.872 -99.200 -91.000 TRP 150 1.040 21.828 -16.361 -7.455 -99.200 -91.000 TRP6 150 1.020 21.746 -17.662 -9.465 -99.200 -91.000 TYR 161 0.840 9.032 9.518 -22.547 -99.200 -91.000 PHE 166 1.000 7.143 13.373 -21.098 -99.200 -91.000 TYR 168 0.840 3.852 13.283 -11.709 -99.200 -91.000 PHE 169 1.000 7.282 9.519 -17.230 -99.200 -91.000 TRP 171 1.040 9.952 4.138 -11.984 -99.200 -91.000 TRP6 171 1.020 11.065 2.033 -12.254 -99.200 -91.000 TYR 172 0.840 1.247 3.910 -7.696 -99.200 -91.000 PHE 175 1.000 4.568 -6.356 -2.474 -99.200 -91.000 PHE 198 1.000 14.559 3.379 -6.534 -99.200 -91.000 PHE 201 1.000 22.647 6.663 -14.318 -99.200 -91.000 PHE 202 1.000 16.358 11.980 -20.252 -99.200 -91.000 HIS 212 0.900 21.606 1.214 -13.965 -99.200 -91.000 TYR 224 0.840 10.182 -2.746 -8.273 -99.200 -91.000 PHE 225 1.000 2.674 -2.740 -13.203 -99.200 -91.000 PHE 232 1.000 -8.414 17.652 -14.653 -99.200 -91.000 PHE 237 1.000 -0.444 3.023 -12.913 -99.200 -91.000 TYR 248 0.840 13.042 -20.353 -10.100 -99.200 -91.000