============================================================================= 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. PHE 7 1.000 -1.995 20.441 1.166 -99.200 -91.000 TYR 26 0.840 -13.859 17.102 1.804 -99.200 -91.000 PHE 32 1.000 -0.820 20.875 -3.963 -99.200 -91.000 HIS 55 0.900 -5.654 22.536 -6.161 -99.200 -91.000 HIS 60 0.900 9.798 23.902 1.006 -99.200 -91.000 TRP 62 1.040 17.791 21.405 -7.721 -99.200 -91.000 TRP6 62 1.020 16.573 21.416 -9.743 -99.200 -91.000 TYR 64 0.840 13.271 17.588 -0.252 -99.200 -91.000 TYR 89 0.840 8.268 19.299 -16.712 -99.200 -91.000 PHE 96 1.000 2.283 34.308 -2.794 -99.200 -91.000 PHE 97 1.000 12.386 30.718 -0.730 -99.200 -91.000 PHE 109 1.000 13.260 37.753 4.628 -99.200 -91.000 PHE 116 1.000 11.960 35.101 1.555 -99.200 -91.000 TRP 125 1.040 7.830 17.753 11.611 -99.200 -91.000 TRP6 125 1.020 6.489 19.668 12.015 -99.200 -91.000 HIS 151 0.900 5.639 19.226 5.951 -99.200 -91.000 HIS 158 0.900 2.517 13.178 5.380 -99.200 -91.000 TYR 176 0.840 -11.928 30.016 9.506 -99.200 -91.000 PHE 178 1.000 -10.424 25.233 3.639 -99.200 -91.000 PHE 185 1.000 0.010 38.022 0.193 -99.200 -91.000 TYR 200 0.840 3.350 38.954 3.670 -99.200 -91.000