============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 13 0.840 22.823 1.690 21.873 -99.200 -91.000 HIS 20 0.900 25.559 -16.914 20.373 -99.200 -91.000 TYR 29 0.840 23.254 -10.572 14.946 -99.200 -91.000 TYR 32 0.840 17.306 2.251 21.244 -99.200 -91.000 HIS 43 0.900 6.608 2.742 11.063 -99.200 -91.000 PHE 46 1.000 14.489 -1.047 4.937 -99.200 -91.000 TYR 48 0.840 15.679 -5.674 8.910 -99.200 -91.000 TYR 58 0.840 30.462 2.781 17.814 -99.200 -91.000 TRP 68 1.040 35.983 8.448 5.628 -99.200 -91.000 TRP6 68 1.020 35.329 9.454 7.664 -99.200 -91.000 TYR 77 0.840 36.005 3.240 1.465 -99.200 -91.000 PHE 99 1.000 25.486 10.534 10.556 -99.200 -91.000 PHE 103 1.000 19.272 6.165 16.940 -99.200 -91.000 TYR 132 0.840 42.351 12.253 31.902 -99.200 -91.000 PHE 143 1.000 34.413 17.308 22.928 -99.200 -91.000 PHE 144 1.000 37.905 14.588 25.660 -99.200 -91.000 PHE 152 1.000 35.946 19.822 27.370 -99.200 -91.000 TRP 156 1.040 44.542 15.388 21.575 -99.200 -91.000 TRP6 156 1.020 43.886 13.159 21.136 -99.200 -91.000 TYR 158 0.840 46.761 11.608 30.808 -99.200 -91.000 PHE 167 1.000 43.536 7.683 23.233 -99.200 -91.000 TYR 185 0.840 40.964 3.983 31.845 -99.200 -91.000 TYR 187 0.840 35.702 4.110 28.177 -99.200 -91.000 TYR 196 0.840 23.249 -1.565 29.013 -99.200 -91.000 TYR 217 0.840 24.190 7.475 20.078 -99.200 -91.000 TRP 251 1.040 16.106 -3.152 24.140 -99.200 -91.000 TRP6 251 1.020 16.610 -5.465 24.212 -99.200 -91.000 TRP 252 1.040 20.030 2.677 28.699 -99.200 -91.000 TRP6 252 1.020 19.900 2.257 26.381 -99.200 -91.000 TYR 253 0.840 16.734 3.659 32.824 -99.200 -91.000