============================================================================= 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. HIS 19 0.900 23.496 -28.064 33.347 -99.200 -91.000 PHE 20 1.000 19.720 -37.993 31.624 -99.200 -91.000 TRP 22 1.040 23.403 -39.491 26.531 -99.200 -91.000 TRP6 22 1.020 21.931 -37.706 27.009 -99.200 -91.000 TYR 32 0.840 22.648 -39.543 22.016 -99.200 -91.000 TYR 36 0.840 11.950 -33.334 30.872 -99.200 -91.000 TRP 37 1.040 8.680 -40.080 35.101 -99.200 -91.000 TRP6 37 1.020 9.984 -41.240 33.515 -99.200 -91.000 HIS 47 0.900 7.289 -32.187 30.436 -99.200 -91.000 TYR 62 0.840 6.030 -27.572 38.927 -99.200 -91.000 TYR 64 0.840 12.901 -29.601 48.888 -99.200 -91.000 TYR 67 0.840 11.435 -32.461 37.475 -99.200 -91.000 TYR 74 0.840 17.360 -39.552 17.134 -99.200 -91.000 TYR 82 0.840 13.843 -44.321 26.047 -99.200 -91.000 HIS 91 0.900 20.878 -26.816 43.477 -99.200 -91.000 PHE 103 1.000 -2.772 -5.496 59.125 -99.200 -91.000 TRP 115 1.040 2.103 -14.805 57.647 -99.200 -91.000 TRP6 115 1.020 2.520 -13.822 59.751 -99.200 -91.000 TYR 128 0.840 5.689 -17.769 57.438 -99.200 -91.000 TYR 132 0.840 6.411 -3.271 65.264 -99.200 -91.000 TYR 169 0.840 2.654 1.868 64.160 -99.200 -91.000 TYR 171 0.840 1.325 -3.350 61.027 -99.200 -91.000 TRP 181 1.040 15.420 -14.523 55.829 -99.200 -91.000 TRP6 181 1.020 13.472 -14.873 57.109 -99.200 -91.000