============================================================================= 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 5 1.000 31.387 9.999 56.016 -99.200 -91.000 PHE 25 1.000 40.076 4.701 60.989 -99.200 -91.000 TYR 31 0.840 39.205 10.233 72.260 -99.200 -91.000 HIS 48 0.900 31.473 10.826 49.228 -99.200 -91.000 TYR 49 0.840 32.337 8.404 45.396 -99.200 -91.000 HIS 51 0.900 35.617 13.917 43.577 -99.200 -91.000 PHE 57 1.000 36.171 6.037 37.672 -99.200 -91.000 PHE 58 1.000 29.177 9.774 38.658 -99.200 -91.000 TRP 75 1.040 36.317 6.508 63.543 -99.200 -91.000 TRP6 75 1.020 36.805 5.192 65.446 -99.200 -91.000 TYR 105 0.840 42.204 -6.130 56.559 -99.200 -91.000 HIS 115 0.900 35.554 9.075 51.557 -99.200 -91.000 TRP 130 1.040 28.227 10.524 52.888 -99.200 -91.000 TRP6 130 1.020 27.275 8.573 51.963 -99.200 -91.000 PHE 140 1.000 37.895 15.453 72.697 -99.200 -91.000 PHE 141 1.000 37.560 6.862 75.594 -99.200 -91.000 TRP 145 1.040 46.059 7.808 80.770 -99.200 -91.000 TRP6 145 1.020 44.348 6.204 81.118 -99.200 -91.000 TYR 147 0.840 44.684 12.603 71.103 -99.200 -91.000