============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TRP 24 1.040 29.994 36.410 15.687 -99.200 -91.000 TRP6 24 1.020 27.916 35.643 16.464 -99.200 -91.000 PHE 31 1.000 32.671 47.538 19.089 -99.200 -91.000 TYR 33 0.840 23.784 48.054 12.572 -99.200 -91.000 PHE 34 1.000 26.352 47.503 20.851 -99.200 -91.000 TRP 57 1.040 29.736 45.271 34.244 -99.200 -91.000 TRP6 57 1.020 29.720 47.474 33.447 -99.200 -91.000 PHE 58 1.000 31.163 41.458 36.385 -99.200 -91.000 HIS 87 0.900 27.570 55.348 33.595 -99.200 -91.000 PHE 88 1.000 21.961 55.736 37.009 -99.200 -91.000 TRP 113 1.040 19.767 52.064 21.413 -99.200 -91.000 TRP6 113 1.020 19.319 50.972 19.369 -99.200 -91.000 TYR 121 0.840 19.259 40.424 23.351 -99.200 -91.000 HIS 127 0.900 8.254 47.450 28.826 -99.200 -91.000 HIS 130 0.900 7.980 51.605 17.692 -99.200 -91.000 PHE 134 1.000 17.370 49.060 15.102 -99.200 -91.000 PHE 142 1.000 30.457 31.256 13.313 -99.200 -91.000 PHE 147 1.000 21.778 28.084 21.760 -99.200 -91.000 PHE 148 1.000 17.047 37.582 19.699 -99.200 -91.000 TYR 156 0.840 8.779 42.110 18.264 -99.200 -91.000 TYR 162 0.840 14.375 52.171 11.051 -99.200 -91.000 TYR 177 0.840 28.017 41.478 8.995 -99.200 -91.000 PHE 179 1.000 24.494 45.640 9.545 -99.200 -91.000 TYR 182 0.840 12.783 40.591 12.548 -99.200 -91.000