============================================================================= 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 31 0.900 13.065 21.950 60.376 -99.200 -91.000 PHE 33 1.000 17.900 19.770 57.375 -99.200 -91.000 TRP 41 1.040 22.273 18.233 53.003 -99.200 -91.000 TRP6 41 1.020 23.952 19.531 54.023 -99.200 -91.000 PHE 44 1.000 23.883 20.563 65.073 -99.200 -91.000 HIS 56 0.900 19.433 34.903 70.072 -99.200 -91.000 PHE 64 1.000 28.284 25.012 65.060 -99.200 -91.000 TYR 69 0.840 27.471 22.154 61.439 -99.200 -91.000 TYR 78 0.840 7.881 37.017 56.929 -99.200 -91.000 TRP 79 1.040 8.304 36.677 51.448 -99.200 -91.000 TRP6 79 1.020 8.252 38.970 52.055 -99.200 -91.000 PHE 87 1.000 12.288 33.114 41.556 -99.200 -91.000 HIS 88 0.900 14.262 33.488 46.064 -99.200 -91.000 HIS 90 0.900 14.422 25.581 50.425 -99.200 -91.000 PHE 95 1.000 27.508 27.670 58.517 -99.200 -91.000 TYR 105 0.840 30.958 29.762 62.537 -99.200 -91.000 TYR 114 0.840 8.791 37.831 42.432 -99.200 -91.000 TYR 116 0.840 17.865 33.910 49.411 -99.200 -91.000