============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 5 1.000 19.540 3.562 17.407 -99.200 -91.000 HIS 8 0.900 27.823 10.794 19.294 -99.200 -91.000 HIS 10 0.900 20.066 18.295 13.768 -99.200 -91.000 TRP 11 1.040 19.742 11.341 17.095 -99.200 -91.000 TRP6 11 1.020 19.889 9.606 15.501 -99.200 -91.000 HIS 33 0.900 14.673 3.206 17.883 -99.200 -91.000 TRP 36 1.040 9.308 -4.903 21.670 -99.200 -91.000 TRP6 36 1.020 7.936 -3.120 20.938 -99.200 -91.000 PHE 47 1.000 23.654 4.707 14.258 -99.200 -91.000 HIS 58 0.900 28.623 15.907 11.443 -99.200 -91.000 PHE 60 1.000 23.616 9.870 4.939 -99.200 -91.000 PHE 76 1.000 9.470 5.371 5.563 -99.200 -91.000 TYR 82 0.840 14.032 -6.945 8.277 -99.200 -91.000 PHE 88 1.000 21.304 4.693 4.345 -99.200 -91.000 HIS 96 0.900 16.504 6.383 -4.022 -99.200 -91.000 TYR 108 0.840 15.914 -11.956 7.873 -99.200 -91.000 TYR 110 0.840 15.745 -2.603 3.061 -99.200 -91.000 PHE 111 1.000 18.778 -7.842 11.980 -99.200 -91.000 TYR 112 0.840 22.502 -1.460 7.179 -99.200 -91.000 PHE 134 1.000 17.956 9.150 -7.294 -99.200 -91.000