============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 29 1.000 -9.392 57.815 38.193 -99.200 -91.000 TYR 32 0.840 -5.274 59.656 31.071 -99.200 -91.000 TRP 33 1.040 -8.212 52.059 28.585 -99.200 -91.000 TRP6 33 1.020 -7.152 50.773 26.910 -99.200 -91.000 TRP 36 1.040 -4.743 48.339 41.489 -99.200 -91.000 TRP6 36 1.020 -3.710 49.659 43.149 -99.200 -91.000 TRP 47 1.040 -1.986 44.107 33.800 -99.200 -91.000 TRP6 47 1.020 -3.497 42.372 33.261 -99.200 -91.000 TYR 58 0.840 -17.210 52.763 35.056 -99.200 -91.000 TYR 61 0.840 -10.543 43.342 30.021 -99.200 -91.000 TYR 62 0.840 -10.066 41.135 37.982 -99.200 -91.000 PHE 70 1.000 -5.151 40.313 44.159 -99.200 -91.000 TYR 82 0.840 -11.773 52.916 45.870 -99.200 -91.000 TYR 95 0.840 -0.054 44.153 45.446 -99.200 -91.000 TYR 96 0.840 5.576 50.299 41.881 -99.200 -91.000 PHE 98 1.000 1.752 50.516 33.376 -99.200 -91.000 TYR 103 0.840 0.852 59.731 32.665 -99.200 -91.000 TRP 104 1.040 5.292 52.655 35.661 -99.200 -91.000 TRP6 104 1.020 5.079 50.404 36.311 -99.200 -91.000 TYR 123 0.840 19.338 50.300 69.451 -99.200 -91.000 TYR 140 0.840 12.849 47.341 59.893 -99.200 -91.000 PHE 141 1.000 7.783 40.584 59.187 -99.200 -91.000 TRP 149 1.040 20.483 60.457 57.773 -99.200 -91.000 TRP6 149 1.020 21.463 60.051 59.880 -99.200 -91.000 HIS 159 0.900 26.948 55.806 50.852 -99.200 -91.000 PHE 161 1.000 25.218 50.994 54.128 -99.200 -91.000 TYR 170 0.840 12.787 42.566 56.834 -99.200 -91.000 TRP 183 1.040 27.551 65.674 65.200 -99.200 -91.000 TRP6 183 1.020 29.031 64.143 66.223 -99.200 -91.000 HIS 194 0.900 7.635 49.186 60.776 -99.200 -91.000