============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 3 1.000 26.628 15.868 45.886 -99.200 -91.000 TYR 5 0.840 25.345 14.616 37.217 -99.200 -91.000 HIS 9 0.900 22.193 15.173 35.142 -99.200 -91.000 PHE 11 1.000 20.134 4.223 39.967 -99.200 -91.000 TYR 25 0.840 38.570 5.469 29.164 -99.200 -91.000 TYR 49 0.840 35.358 18.278 36.460 -99.200 -91.000 PHE 60 1.000 39.438 17.336 41.600 -99.200 -91.000 TYR 61 0.840 40.943 20.737 48.951 -99.200 -91.000 PHE 62 1.000 48.633 24.243 42.269 -99.200 -91.000 HIS 69 0.900 42.383 32.826 36.391 -99.200 -91.000 PHE 77 1.000 37.598 24.333 54.093 -99.200 -91.000 PHE 78 1.000 37.469 18.408 46.282 -99.200 -91.000 PHE 79 1.000 32.114 20.340 53.073 -99.200 -91.000 TYR 95 0.840 34.277 4.730 42.151 -99.200 -91.000 HIS 98 0.900 33.044 7.767 51.782 -99.200 -91.000 HIS 99 0.900 31.111 2.406 44.539 -99.200 -91.000 PHE 103 1.000 28.198 0.630 38.622 -99.200 -91.000 PHE 104 1.000 28.924 9.273 37.186 -99.200 -91.000 TYR 106 0.840 26.843 11.794 42.808 -99.200 -91.000 TYR 109 0.840 33.262 23.888 43.904 -99.200 -91.000 TYR 115 0.840 26.402 19.789 51.991 -99.200 -91.000