============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 7 0.840 -9.392 25.551 -1.475 -99.200 -91.000 TYR 11 0.840 -1.998 32.463 -0.632 -99.200 -91.000 PHE 13 1.000 -2.079 25.760 -7.598 -99.200 -91.000 PHE 17 1.000 -1.272 21.953 -17.779 -99.200 -91.000 HIS 19 0.900 3.282 22.018 -28.752 -99.200 -91.000 TYR 25 0.840 -3.793 21.244 -20.517 -99.200 -91.000 PHE 33 1.000 -3.289 13.582 -25.107 -99.200 -91.000 TRP 45 1.040 -0.234 30.525 -15.072 -99.200 -91.000 TRP6 45 1.020 0.088 32.591 -16.176 -99.200 -91.000 TYR 62 0.840 -3.627 3.309 -11.557 -99.200 -91.000 HIS 77 0.900 11.760 -2.916 -19.026 -99.200 -91.000 HIS 78 0.900 9.592 1.733 -18.396 -99.200 -91.000 HIS 88 0.900 8.561 8.306 -5.273 -99.200 -91.000 TYR 100 0.840 11.960 12.431 -6.140 -99.200 -91.000 PHE 107 1.000 2.290 0.641 2.305 -99.200 -91.000 HIS 109 0.900 5.660 5.522 -4.929 -99.200 -91.000 TYR 115 0.840 4.842 29.957 -5.192 -99.200 -91.000 HIS 128 0.900 11.490 22.616 -17.070 -99.200 -91.000 TYR 129 0.840 5.671 18.313 -11.698 -99.200 -91.000 TYR 131 0.840 3.843 12.734 -15.616 -99.200 -91.000 PHE 165 1.000 -1.161 17.698 -15.002 -99.200 -91.000