============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 16 0.900 74.478 -1.922 -12.697 -99.200 -91.000 TYR 30 0.840 66.121 13.095 5.264 -99.200 -91.000 TYR 36 0.840 77.408 7.321 8.736 -99.200 -91.000 TYR 37 0.840 70.110 4.618 7.630 -99.200 -91.000 PHE 62 1.000 81.671 0.739 1.815 -99.200 -91.000 TRP 72 1.040 82.270 7.732 14.549 -99.200 -91.000 TRP6 72 1.020 81.307 6.832 12.625 -99.200 -91.000 TYR 78 0.840 87.633 -0.637 6.868 -99.200 -91.000 PHE 91 1.000 79.484 -16.094 8.895 -99.200 -91.000 PHE 97 1.000 86.322 -9.372 12.598 -99.200 -91.000 TYR 112 0.840 67.121 -5.280 10.450 -99.200 -91.000 TYR 113 0.840 63.102 3.935 14.107 -99.200 -91.000 HIS 115 0.900 59.113 0.809 22.662 -99.200 -91.000 PHE 117 1.000 66.702 -3.458 15.515 -99.200 -91.000 HIS 118 0.900 69.852 -1.676 23.666 -99.200 -91.000 PHE 134 1.000 66.321 -11.059 15.121 -99.200 -91.000 TYR 136 0.840 59.135 -6.797 8.905 -99.200 -91.000 HIS 137 0.900 52.712 -11.084 6.642 -99.200 -91.000 TYR 144 0.840 63.134 -10.138 0.927 -99.200 -91.000 PHE 149 1.000 57.663 -19.288 11.732 -99.200 -91.000 TYR 169 0.840 55.557 -14.463 9.512 -99.200 -91.000 TYR 175 0.840 71.433 -13.537 7.880 -99.200 -91.000 PHE 176 1.000 72.543 -11.061 16.554 -99.200 -91.000 TYR 177 0.840 75.123 -17.472 11.594 -99.200 -91.000 TYR 205 0.840 74.282 -22.556 13.381 -99.200 -91.000 TYR 220 0.840 60.686 -4.468 16.373 -99.200 -91.000 TRP 222 1.040 64.446 -6.269 6.976 -99.200 -91.000 TRP6 222 1.020 63.666 -7.965 5.537 -99.200 -91.000 HIS 228 0.900 66.575 2.157 -9.691 -99.200 -91.000 PHE 237 1.000 59.708 4.000 8.245 -99.200 -91.000 TYR 257 0.840 77.126 11.481 24.849 -99.200 -91.000 TRP 261 1.040 80.521 1.227 23.354 -99.200 -91.000 TRP6 261 1.020 79.481 0.234 21.468 -99.200 -91.000 TYR 279 0.840 75.121 13.330 11.255 -99.200 -91.000 TYR 282 0.840 70.593 14.383 16.443 -99.200 -91.000 TYR 292 0.840 63.815 11.299 29.820 -99.200 -91.000