============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 4 0.840 10.348 27.511 48.094 -99.200 -91.000 PHE 5 1.000 6.332 25.062 41.159 -99.200 -91.000 PHE 15 1.000 14.921 40.528 29.507 -99.200 -91.000 PHE 20 1.000 29.351 32.848 23.086 -99.200 -91.000 TRP 39 1.040 23.397 27.276 29.219 -99.200 -91.000 TRP6 39 1.020 23.414 29.503 30.008 -99.200 -91.000 PHE 42 1.000 27.070 33.104 29.450 -99.200 -91.000 TYR 43 0.840 28.728 27.396 32.335 -99.200 -91.000 TYR 57 0.840 17.889 37.563 31.693 -99.200 -91.000 TYR 60 0.840 15.032 27.588 26.219 -99.200 -91.000 TYR 63 0.840 9.651 28.690 20.927 -99.200 -91.000 PHE 67 1.000 4.273 20.472 22.191 -99.200 -91.000 PHE 71 1.000 13.724 24.667 21.239 -99.200 -91.000 TYR 98 0.840 7.217 37.340 29.118 -99.200 -91.000 PHE 101 1.000 5.211 27.748 35.200 -99.200 -91.000 TRP 114 1.040 12.834 24.581 30.876 -99.200 -91.000 TRP6 114 1.020 11.414 25.813 29.436 -99.200 -91.000 TRP 118 1.040 7.882 20.198 29.000 -99.200 -91.000 TRP6 118 1.020 7.369 19.380 26.846 -99.200 -91.000 TYR 120 0.840 -0.269 26.951 33.954 -99.200 -91.000 PHE 121 1.000 2.019 27.511 29.499 -99.200 -91.000 HIS 125 0.900 -3.176 32.583 31.396 -99.200 -91.000 TYR 129 0.840 4.623 27.386 21.331 -99.200 -91.000 PHE 133 1.000 12.430 36.045 30.560 -99.200 -91.000 TYR 135 0.840 16.798 36.778 36.672 -99.200 -91.000 TYR 136 0.840 19.929 29.713 34.239 -99.200 -91.000