============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 7 0.840 60.439 80.843 60.768 -99.200 -91.000 HIS 8 0.900 59.590 83.504 52.073 -99.200 -91.000 HIS 28 0.900 57.012 79.285 48.803 -99.200 -91.000 HIS 37 0.900 36.196 67.159 33.066 -99.200 -91.000 TRP 60 1.040 30.668 50.206 13.155 -99.200 -91.000 TRP6 60 1.020 32.488 49.399 14.424 -99.200 -91.000 TRP 76 1.040 38.177 51.794 16.650 -99.200 -91.000 TRP6 76 1.020 37.555 50.520 14.759 -99.200 -91.000 TYR 78 0.840 38.588 57.087 23.082 -99.200 -91.000 TYR 91 0.840 13.839 40.092 13.006 -99.200 -91.000 PHE 95 1.000 26.377 41.041 18.030 -99.200 -91.000 TYR 98 0.840 26.753 44.056 21.867 -99.200 -91.000 PHE 111 1.000 36.525 47.439 11.048 -99.200 -91.000 PHE 114 1.000 36.324 40.879 3.233 -99.200 -91.000 PHE 117 1.000 30.036 33.948 2.053 -99.200 -91.000 TRP 123 1.040 23.835 34.384 -0.683 -99.200 -91.000 TRP6 123 1.020 25.171 32.638 0.188 -99.200 -91.000 HIS 126 0.900 19.276 28.890 -1.778 -99.200 -91.000 TYR 137 0.840 17.964 54.308 4.327 -99.200 -91.000 PHE 138 1.000 15.575 59.102 4.900 -99.200 -91.000 PHE 143 1.000 18.040 41.687 7.637 -99.200 -91.000 TYR 144 0.840 20.320 43.842 11.472 -99.200 -91.000 TRP 149 1.040 15.463 36.836 6.387 -99.200 -91.000 TRP6 149 1.020 13.925 38.100 7.655 -99.200 -91.000 TYR 157 0.840 16.533 28.041 2.131 -99.200 -91.000 TYR 164 0.840 36.676 35.398 2.754 -99.200 -91.000 TRP 176 1.040 26.622 32.967 11.640 -99.200 -91.000 TRP6 176 1.020 28.843 32.760 12.417 -99.200 -91.000 HIS 179 0.900 13.521 34.416 11.140 -99.200 -91.000 HIS 180 0.900 16.733 30.731 16.300 -99.200 -91.000 TYR 191 0.840 13.969 30.803 6.852 -99.200 -91.000 TYR 197 0.840 21.837 21.465 7.832 -99.200 -91.000 TYR 205 0.840 31.837 29.128 15.058 -99.200 -91.000 PHE 209 1.000 24.748 28.248 14.887 -99.200 -91.000 TYR 228 0.840 21.313 39.854 14.972 -99.200 -91.000 TYR 229 0.840 24.804 32.370 16.614 -99.200 -91.000 TRP 230 1.040 31.281 37.621 17.946 -99.200 -91.000 TRP6 230 1.020 33.584 37.447 18.455 -99.200 -91.000 PHE 241 1.000 29.048 31.438 7.068 -99.200 -91.000 TRP 251 1.040 25.782 41.840 0.628 -99.200 -91.000 TRP6 251 1.020 24.087 43.471 0.522 -99.200 -91.000 TYR 252 0.840 29.121 44.897 1.650 -99.200 -91.000 PHE 254 1.000 32.732 45.108 9.344 -99.200 -91.000 HIS 272 0.900 35.885 70.066 20.606 -99.200 -91.000 HIS 282 0.900 32.361 62.967 34.333 -99.200 -91.000 PHE 291 1.000 48.325 59.349 44.766 -99.200 -91.000 HIS 295 0.900 34.139 57.968 35.275 -99.200 -91.000 TYR 305 0.840 38.086 57.350 41.456 -99.200 -91.000