============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TRP 5 1.040 33.539 5.285 84.618 -99.200 -91.000 TRP6 5 1.020 31.930 3.539 84.729 -99.200 -91.000 PHE 13 1.000 31.688 16.491 78.081 -99.200 -91.000 PHE 16 1.000 32.316 17.527 86.173 -99.200 -91.000 PHE 23 1.000 42.804 16.351 90.072 -99.200 -91.000 HIS 25 0.900 49.231 13.596 87.519 -99.200 -91.000 PHE 36 1.000 18.307 14.772 85.980 -99.200 -91.000 TYR 42 0.840 27.357 5.091 78.810 -99.200 -91.000 TYR 64 0.840 17.470 9.922 88.788 -99.200 -91.000 TYR 81 0.840 35.564 30.009 102.102 -99.200 -91.000 PHE 86 1.000 35.510 31.308 89.654 -99.200 -91.000 TYR 102 0.840 15.951 22.857 90.350 -99.200 -91.000 PHE 112 1.000 30.863 37.713 103.038 -99.200 -91.000 PHE 116 1.000 31.549 41.057 105.541 -99.200 -91.000 TYR 125 0.840 16.412 28.033 87.797 -99.200 -91.000 PHE 165 1.000 29.116 26.210 85.102 -99.200 -91.000 TYR 167 0.840 28.033 23.446 89.647 -99.200 -91.000 PHE 176 1.000 38.137 15.346 88.183 -99.200 -91.000