============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 1 0.840 5.336 -1.411 22.941 -99.200 -91.000 TYR 15 0.840 6.106 -15.009 23.655 -99.200 -91.000 TYR 29 0.840 7.868 3.373 13.216 -99.200 -91.000 PHE 40 1.000 11.150 10.331 9.835 -99.200 -91.000 PHE 44 1.000 14.239 -3.765 0.704 -99.200 -91.000 TYR 45 0.840 16.044 -2.436 9.482 -99.200 -91.000 TYR 49 0.840 16.811 -4.485 14.195 -99.200 -91.000 TYR 51 0.840 12.643 -4.905 22.176 -99.200 -91.000 TYR 71 0.840 1.744 -12.753 3.123 -99.200 -91.000 HIS 103 0.900 6.602 -22.705 18.370 -99.200 -91.000 TYR 110 0.840 9.408 -19.243 7.489 -99.200 -91.000 HIS 114 0.900 14.407 -27.813 11.764 -99.200 -91.000 HIS 129 0.900 24.353 -4.167 -0.059 -99.200 -91.000 PHE 130 1.000 19.252 -2.598 6.694 -99.200 -91.000 PHE 131 1.000 21.572 -5.369 10.298 -99.200 -91.000 HIS 133 0.900 27.396 -1.177 1.716 -99.200 -91.000 TYR 134 0.840 22.136 -0.218 9.894 -99.200 -91.000 TRP 141 1.040 32.602 3.491 12.851 -99.200 -91.000 TRP6 141 1.020 33.351 1.310 13.397 -99.200 -91.000 TRP 147 1.040 25.315 -14.877 7.756 -99.200 -91.000 TRP6 147 1.020 23.338 -14.116 8.819 -99.200 -91.000 TYR 164 0.840 15.895 -7.356 32.182 -99.200 -91.000