============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 15 1.000 32.863 18.457 19.344 -99.200 -91.000 PHE 29 1.000 29.696 14.862 3.760 -99.200 -91.000 HIS 35 0.900 41.719 26.510 16.121 -99.200 -91.000 HIS 46 0.900 40.802 22.499 17.357 -99.200 -91.000 TRP 48 1.040 35.965 15.614 10.262 -99.200 -91.000 TRP6 48 1.020 35.947 14.221 8.325 -99.200 -91.000 TYR 72 0.840 50.836 16.394 16.900 -99.200 -91.000 HIS 83 0.900 44.754 13.620 6.186 -99.200 -91.000 PHE 97 1.000 34.711 11.613 2.741 -99.200 -91.000 TYR 108 0.840 32.798 4.135 7.688 -99.200 -91.000 PHE 110 1.000 33.051 13.808 13.387 -99.200 -91.000 PHE 111 1.000 39.910 9.523 14.465 -99.200 -91.000 PHE 114 1.000 47.797 19.816 19.425 -99.200 -91.000 HIS 117 0.900 43.630 19.136 21.195 -99.200 -91.000 PHE 121 1.000 35.940 17.173 16.112 -99.200 -91.000