============================================================================= 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 2 1.000 -12.875 -16.164 9.748 -99.200 -91.000 TYR 16 0.840 -18.175 -9.928 21.261 -99.200 -91.000 PHE 21 1.000 -8.357 0.862 19.394 -99.200 -91.000 PHE 24 1.000 -3.384 -2.675 18.582 -99.200 -91.000 TYR 28 0.840 1.127 -6.139 21.155 -99.200 -91.000 TYR 34 0.840 1.052 4.086 15.076 -99.200 -91.000 PHE 35 1.000 -5.287 4.184 17.083 -99.200 -91.000 TYR 38 0.840 -8.824 6.509 20.603 -99.200 -91.000 PHE 52 1.000 -12.545 3.531 22.655 -99.200 -91.000 HIS 55 0.900 -10.686 4.278 15.559 -99.200 -91.000 PHE 60 1.000 -12.467 -4.561 16.307 -99.200 -91.000 HIS 89 0.900 -5.673 1.737 8.201 -99.200 -91.000 PHE 97 1.000 -3.106 -3.042 9.391 -99.200 -91.000 PHE 101 1.000 -6.340 -9.311 12.616 -99.200 -91.000 TYR 107 0.840 -12.193 -10.024 23.819 -99.200 -91.000 PHE 115 1.000 -15.230 -14.832 20.248 -99.200 -91.000 TRP 120 1.040 -11.754 -15.224 14.485 -99.200 -91.000 TRP6 120 1.020 -12.397 -13.374 13.134 -99.200 -91.000 PHE 123 1.000 -9.329 -12.057 8.614 -99.200 -91.000