============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TYR 4 0.840 -64.896 41.570 9.908 -99.200 -91.000 TYR 9 0.840 -67.724 44.746 25.878 -99.200 -91.000 HIS 28 0.900 -54.821 35.801 6.528 -99.200 -91.000 TYR 32 0.840 -52.547 30.867 14.953 -99.200 -91.000 TRP 33 1.040 -61.225 30.384 18.691 -99.200 -91.000 TRP6 33 1.020 -62.291 32.316 19.544 -99.200 -91.000 TYR 34 0.840 -53.176 32.790 20.604 -99.200 -91.000 HIS 43 0.900 -51.811 31.039 29.406 -99.200 -91.000 HIS 46 0.900 -59.867 24.473 21.408 -99.200 -91.000 TYR 47 0.840 -52.444 23.844 16.360 -99.200 -91.000 TYR 49 0.840 -51.498 22.905 11.021 -99.200 -91.000 HIS 72 0.900 -68.251 32.299 9.200 -99.200 -91.000 PHE 73 1.000 -60.595 27.833 14.674 -99.200 -91.000 HIS 84 0.900 -65.479 27.512 31.231 -99.200 -91.000 TYR 88 0.840 -62.608 32.663 26.551 -99.200 -91.000 TYR 99 0.840 -47.451 31.686 5.432 -99.200 -91.000 TYR 102 0.840 -52.452 40.424 9.458 -99.200 -91.000 PHE 103 1.000 -53.249 37.720 18.193 -99.200 -91.000 PHE 119 1.000 -79.650 44.796 39.283 -99.200 -91.000 PHE 126 1.000 -72.270 63.857 40.005 -99.200 -91.000 HIS 135 0.900 -56.317 78.367 41.244 -99.200 -91.000 PHE 148 1.000 -70.967 49.508 35.026 -99.200 -91.000 TYR 149 0.840 -72.366 40.818 37.345 -99.200 -91.000 HIS 152 0.900 -69.471 41.898 29.956 -99.200 -91.000 TRP 157 1.040 -67.263 62.624 28.167 -99.200 -91.000 TRP6 157 1.020 -68.710 63.904 29.532 -99.200 -91.000 TRP 158 1.040 -71.849 60.854 21.689 -99.200 -91.000 TRP6 158 1.020 -72.130 60.618 19.352 -99.200 -91.000 HIS 165 0.900 -62.919 60.152 19.969 -99.200 -91.000 TYR 186 0.840 -67.898 45.011 38.153 -99.200 -91.000 PHE 198 1.000 -67.636 74.389 23.379 -99.200 -91.000 TRP 199 1.040 -69.750 75.473 32.413 -99.200 -91.000 TRP6 199 1.020 -71.512 73.894 32.370 -99.200 -91.000 HIS 205 0.900 -76.959 68.121 24.533 -99.200 -91.000 PHE 206 1.000 -70.749 71.107 27.412 -99.200 -91.000 PHE 212 1.000 -75.710 46.638 30.940 -99.200 -91.000 TYR 213 0.840 -71.709 46.305 24.381 -99.200 -91.000 TRP 221 1.040 -85.949 39.669 33.217 -99.200 -91.000 TRP6 221 1.020 -83.995 39.782 34.545 -99.200 -91.000 TRP 238 1.040 -79.265 72.070 27.310 -99.200 -91.000 TRP6 238 1.020 -78.890 72.756 25.076 -99.200 -91.000