============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 22 0.900 13.288 21.986 59.202 -99.200 -91.000 PHE 24 1.000 18.459 20.103 56.171 -99.200 -91.000 TRP 32 1.040 22.593 18.433 51.821 -99.200 -91.000 TRP6 32 1.020 24.378 19.689 52.732 -99.200 -91.000 PHE 35 1.000 24.302 20.452 63.847 -99.200 -91.000 HIS 47 0.900 19.724 34.879 69.085 -99.200 -91.000 PHE 55 1.000 28.671 25.338 63.835 -99.200 -91.000 TYR 60 0.840 27.990 22.304 60.278 -99.200 -91.000 TYR 69 0.840 8.140 36.667 55.891 -99.200 -91.000 TRP 70 1.040 8.400 36.230 50.521 -99.200 -91.000 TRP6 70 1.020 8.347 38.504 51.241 -99.200 -91.000 PHE 78 1.000 12.426 32.913 40.697 -99.200 -91.000 HIS 79 0.900 14.619 33.017 45.040 -99.200 -91.000 HIS 81 0.900 14.349 25.284 49.481 -99.200 -91.000 PHE 86 1.000 27.552 27.867 57.258 -99.200 -91.000 TYR 96 0.840 31.029 29.961 61.531 -99.200 -91.000 TYR 105 0.840 8.779 37.574 41.597 -99.200 -91.000 TYR 107 0.840 17.830 33.980 48.459 -99.200 -91.000