============================================================================= 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 27 1.000 32.528 54.020 48.213 -99.200 -91.000 HIS 30 0.900 34.642 54.000 33.926 -99.200 -91.000 PHE 38 1.000 33.765 41.715 33.120 -99.200 -91.000 PHE 43 1.000 30.905 46.675 33.022 -99.200 -91.000 HIS 49 0.900 32.702 49.290 53.888 -99.200 -91.000 PHE 52 1.000 33.324 48.730 47.227 -99.200 -91.000 TRP 54 1.040 27.964 39.378 48.669 -99.200 -91.000 TRP6 54 1.020 28.498 39.531 46.367 -99.200 -91.000 HIS 56 0.900 38.129 40.581 52.258 -99.200 -91.000 TYR 65 0.840 38.813 32.236 44.372 -99.200 -91.000 PHE 79 1.000 32.730 60.498 55.349 -99.200 -91.000 PHE 99 1.000 30.910 79.279 62.519 -99.200 -91.000 TYR 109 0.840 32.181 64.727 55.264 -99.200 -91.000 PHE 113 1.000 32.876 61.321 49.726 -99.200 -91.000 HIS 120 0.900 35.396 51.694 50.291 -99.200 -91.000 PHE 123 1.000 38.212 44.428 47.838 -99.200 -91.000 HIS 130 0.900 45.060 36.551 42.385 -99.200 -91.000 PHE 139 1.000 36.640 42.003 40.396 -99.200 -91.000 HIS 140 0.900 33.948 38.526 35.637 -99.200 -91.000 PHE 142 1.000 31.698 45.449 44.106 -99.200 -91.000 TYR 145 0.840 21.909 42.185 40.496 -99.200 -91.000