============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 17 0.840 30.384 -14.547 24.115 -99.200 -91.000 PHE 30 1.000 39.551 -18.051 22.916 -99.200 -91.000 HIS 49 0.900 32.486 -15.221 13.001 -99.200 -91.000 TYR 53 0.840 26.890 -5.418 14.665 -99.200 -91.000 TYR 64 0.840 51.403 -23.635 26.205 -99.200 -91.000 HIS 103 0.900 57.617 -18.952 24.552 -99.200 -91.000 TYR 106 0.840 52.245 -16.390 34.045 -99.200 -91.000 HIS 121 0.900 51.898 -29.685 42.352 -99.200 -91.000 TYR 123 0.840 53.426 -19.887 46.608 -99.200 -91.000 PHE 136 1.000 35.756 -19.035 39.022 -99.200 -91.000 PHE 145 1.000 25.285 -18.451 50.956 -99.200 -91.000 TYR 147 0.840 18.764 -19.425 41.496 -99.200 -91.000 PHE 153 1.000 16.241 -14.449 53.428 -99.200 -91.000 HIS 168 0.900 34.378 -25.015 43.708 -99.200 -91.000 PHE 176 1.000 24.339 -20.104 55.989 -99.200 -91.000 PHE 188 1.000 20.559 -16.747 57.040 -99.200 -91.000 TRP 216 1.040 25.043 -20.751 30.298 -99.200 -91.000 TRP6 216 1.020 26.362 -20.605 28.341 -99.200 -91.000 HIS 224 0.900 32.620 -9.718 39.469 -99.200 -91.000 HIS 231 0.900 37.998 -2.110 33.288 -99.200 -91.000 PHE 247 1.000 40.410 -15.347 56.900 -99.200 -91.000 HIS 249 0.900 43.522 -21.757 59.792 -99.200 -91.000 PHE 254 1.000 41.606 -21.629 53.899 -99.200 -91.000 TRP 271 1.040 35.578 -10.382 54.847 -99.200 -91.000 TRP6 271 1.020 33.944 -11.369 53.457 -99.200 -91.000 TYR 276 0.840 28.582 -23.950 61.958 -99.200 -91.000 TYR 292 0.840 50.741 -29.075 47.795 -99.200 -91.000