============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 32 1.000 21.483 -5.081 18.921 -99.200 -91.000 HIS 34 0.900 29.823 -1.550 12.893 -99.200 -91.000 HIS 45 0.900 32.214 12.507 -3.438 -99.200 -91.000 PHE 46 1.000 25.275 8.898 1.173 -99.200 -91.000 TYR 47 0.840 33.186 13.103 0.488 -99.200 -91.000 HIS 51 0.900 38.299 17.332 6.496 -99.200 -91.000 PHE 64 1.000 23.201 3.530 1.445 -99.200 -91.000 HIS 75 0.900 18.661 -2.553 11.900 -99.200 -91.000 TYR 79 0.840 28.531 10.129 11.178 -99.200 -91.000 HIS 80 0.900 31.972 12.408 12.959 -99.200 -91.000 PHE 85 1.000 22.673 9.365 12.482 -99.200 -91.000 TRP 89 1.040 15.839 6.374 11.475 -99.200 -91.000 TRP6 89 1.020 17.803 7.043 10.375 -99.200 -91.000 PHE 90 1.000 19.831 5.802 16.078 -99.200 -91.000 HIS 91 0.900 14.052 1.436 19.390 -99.200 -91.000 HIS 97 0.900 32.454 12.042 27.440 -99.200 -91.000 PHE 104 1.000 48.911 13.171 22.063 -99.200 -91.000 TYR 112 0.840 42.241 9.701 13.955 -99.200 -91.000 TYR 137 0.840 19.431 11.128 19.325 -99.200 -91.000