============================================================================= 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. PHE 20 1.000 8.585 -3.119 51.185 -99.200 -91.000 TYR 26 0.840 -3.974 3.093 49.365 -99.200 -91.000 TYR 47 0.840 10.956 0.835 50.386 -99.200 -91.000 PHE 82 1.000 12.533 -2.809 46.444 -99.200 -91.000 PHE 104 1.000 12.315 -5.984 20.352 -99.200 -91.000 TYR 112 0.840 15.816 -11.572 33.884 -99.200 -91.000 TYR 120 0.840 9.257 -13.721 43.368 -99.200 -91.000 TRP 138 1.040 5.400 -13.495 16.694 -99.200 -91.000 TRP6 138 1.020 3.076 -13.894 16.620 -99.200 -91.000 PHE 160 1.000 1.300 0.826 24.632 -99.200 -91.000 TYR 174 0.840 -3.662 -15.693 36.021 -99.200 -91.000 PHE 179 1.000 1.147 -0.058 29.884 -99.200 -91.000 TRP 186 1.040 -0.336 8.852 19.453 -99.200 -91.000 TRP6 186 1.020 1.850 8.654 18.579 -99.200 -91.000 PHE 195 1.000 -5.730 14.113 32.274 -99.200 -91.000 TYR 211 0.840 -15.021 -6.620 30.093 -99.200 -91.000 TYR 214 0.840 -8.551 -10.614 25.860 -99.200 -91.000 HIS 217 0.900 -13.168 -13.190 19.368 -99.200 -91.000 PHE 219 1.000 -9.724 -15.002 22.796 -99.200 -91.000 PHE 227 1.000 -6.159 2.914 34.931 -99.200 -91.000 HIS 258 0.900 -24.296 3.142 42.882 -99.200 -91.000 PHE 281 1.000 1.871 -9.019 17.279 -99.200 -91.000 TRP 283 1.040 -1.253 -4.900 7.537 -99.200 -91.000 TRP6 283 1.020 -0.027 -3.528 6.045 -99.200 -91.000 HIS 291 0.900 6.891 6.942 19.896 -99.200 -91.000 PHE 300 1.000 8.623 -0.653 31.724 -99.200 -91.000