============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 3 0.840 49.167 56.642 6.515 -99.200 -91.000 PHE 11 1.000 36.266 44.180 0.050 -99.200 -91.000 PHE 15 1.000 49.781 36.665 8.442 -99.200 -91.000 PHE 27 1.000 41.239 39.462 7.584 -99.200 -91.000 PHE 42 1.000 46.344 48.990 32.058 -99.200 -91.000 HIS 52 0.900 57.061 39.652 41.236 -99.200 -91.000 PHE 54 1.000 53.699 37.898 38.217 -99.200 -91.000 TYR 80 0.840 50.690 24.317 1.616 -99.200 -91.000 PHE 83 1.000 50.136 27.223 18.150 -99.200 -91.000 TRP 94 1.040 55.713 28.372 32.688 -99.200 -91.000 TRP6 94 1.020 55.538 29.753 30.771 -99.200 -91.000 TYR 98 0.840 52.497 30.770 38.485 -99.200 -91.000 PHE 108 1.000 32.082 31.529 39.914 -99.200 -91.000 HIS 121 0.900 40.189 36.922 38.447 -99.200 -91.000 PHE 122 1.000 39.096 43.413 30.252 -99.200 -91.000 PHE 150 1.000 49.201 29.473 23.921 -99.200 -91.000 TYR 157 0.840 50.131 31.687 32.942 -99.200 -91.000 PHE 159 1.000 40.045 30.996 38.405 -99.200 -91.000 TYR 164 0.840 52.338 32.908 42.474 -99.200 -91.000 TYR 176 0.840 26.735 33.384 43.898 -99.200 -91.000