============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 3 1.040 28.088 36.195 2.875 -99.200 -91.000 TRP6 3 1.020 26.424 36.701 1.274 -99.200 -91.000 PHE 19 1.000 23.812 50.108 13.061 -99.200 -91.000 PHE 20 1.000 30.526 51.515 19.137 -99.200 -91.000 PHE 22 1.000 31.834 53.254 23.609 -99.200 -91.000 TYR 23 0.840 26.403 49.743 29.359 -99.200 -91.000 TYR 28 0.840 37.610 45.318 26.008 -99.200 -91.000 PHE 30 1.000 34.048 41.334 16.364 -99.200 -91.000 HIS 41 0.900 46.073 45.977 5.946 -99.200 -91.000 TYR 51 0.840 26.265 54.840 11.757 -99.200 -91.000 HIS 52 0.900 26.730 53.202 22.332 -99.200 -91.000 HIS 61 0.900 17.971 55.687 24.974 -99.200 -91.000 TRP 67 1.040 29.811 56.608 18.263 -99.200 -91.000 TRP6 67 1.020 32.093 56.114 18.704 -99.200 -91.000 PHE 81 1.000 32.679 57.519 26.755 -99.200 -91.000 PHE 82 1.000 34.477 49.272 23.365 -99.200 -91.000 HIS 91 0.900 30.054 52.415 38.239 -99.200 -91.000 PHE 100 1.000 33.133 63.822 24.167 -99.200 -91.000 TYR 110 0.840 29.871 66.201 27.627 -99.200 -91.000 PHE 129 1.000 18.857 48.998 16.891 -99.200 -91.000 TYR 132 0.840 22.800 49.870 7.787 -99.200 -91.000 TYR 141 0.840 24.045 45.457 9.399 -99.200 -91.000 TYR 146 0.840 26.584 41.561 0.191 -99.200 -91.000 HIS 147 0.900 23.845 40.720 10.528 -99.200 -91.000 PHE 153 1.000 33.015 34.725 10.300 -99.200 -91.000 PHE 156 1.000 40.662 24.422 17.208 -99.200 -91.000 PHE 161 1.000 36.056 35.229 15.405 -99.200 -91.000 TYR 165 0.840 33.605 39.454 11.720 -99.200 -91.000