============================================================================= 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 14.797 33.165 37.279 -99.200 -91.000 PHE 30 1.000 18.588 24.474 39.091 -99.200 -91.000 HIS 49 0.900 15.449 31.560 48.632 -99.200 -91.000 TYR 53 0.840 5.722 37.077 46.785 -99.200 -91.000 TYR 64 0.840 24.545 12.536 35.924 -99.200 -91.000 HIS 108 0.900 20.125 6.695 37.942 -99.200 -91.000 TYR 111 0.840 17.457 10.746 28.522 -99.200 -91.000 HIS 126 0.900 30.284 11.481 20.039 -99.200 -91.000 TYR 128 0.840 20.644 9.834 16.133 -99.200 -91.000 PHE 141 1.000 19.099 27.354 22.753 -99.200 -91.000 PHE 150 1.000 17.971 37.130 10.340 -99.200 -91.000 TYR 152 0.840 18.794 44.089 19.471 -99.200 -91.000 PHE 158 1.000 13.654 45.727 7.950 -99.200 -91.000 HIS 173 0.900 24.498 28.350 18.173 -99.200 -91.000 PHE 181 1.000 19.458 37.948 5.097 -99.200 -91.000 PHE 193 1.000 16.143 41.933 4.099 -99.200 -91.000 TRP 221 1.040 20.561 38.287 30.870 -99.200 -91.000 TRP6 221 1.020 20.386 37.017 32.864 -99.200 -91.000 HIS 229 0.900 9.674 30.088 22.326 -99.200 -91.000 HIS 236 0.900 2.261 24.451 29.079 -99.200 -91.000 PHE 252 1.000 15.224 21.646 5.160 -99.200 -91.000 HIS 254 0.900 21.332 19.267 2.453 -99.200 -91.000 PHE 259 1.000 21.690 21.080 7.899 -99.200 -91.000 TRP 276 1.040 10.133 26.562 7.074 -99.200 -91.000 TRP6 276 1.020 11.291 28.166 8.362 -99.200 -91.000 TYR 281 0.840 23.270 34.205 -0.381 -99.200 -91.000 TYR 297 0.840 29.802 12.644 14.510 -99.200 -91.000