============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 29 1.000 72.311 54.283 0.620 -99.200 -91.000 TYR 32 0.840 77.390 53.028 -5.910 -99.200 -91.000 TRP 36 1.040 64.910 48.552 0.562 -99.200 -91.000 TRP6 36 1.020 65.547 48.551 2.836 -99.200 -91.000 TRP 47 1.040 64.729 42.708 -6.762 -99.200 -91.000 TRP6 47 1.020 63.038 42.885 -8.377 -99.200 -91.000 TYR 58 0.840 64.125 48.669 -12.757 -99.200 -91.000 TYR 59 0.840 58.457 48.815 -6.661 -99.200 -91.000 PHE 67 1.000 56.431 45.428 0.670 -99.200 -91.000 TYR 79 0.840 63.706 57.192 3.656 -99.200 -91.000 TYR 92 0.840 61.267 42.825 4.474 -99.200 -91.000 TYR 93 0.840 69.875 40.477 5.024 -99.200 -91.000 TYR 102 0.840 80.431 46.669 -0.032 -99.200 -91.000 TRP 103 1.040 74.737 40.901 2.365 -99.200 -91.000 TRP6 103 1.020 75.761 39.932 0.455 -99.200 -91.000 TYR 122 0.840 62.996 30.485 34.215 -99.200 -91.000 TYR 145 0.840 62.846 34.091 22.604 -99.200 -91.000 PHE 146 1.000 55.838 37.046 18.297 -99.200 -91.000 TRP 154 1.040 77.144 31.143 27.650 -99.200 -91.000 TRP6 154 1.020 76.301 30.394 29.722 -99.200 -91.000 HIS 164 0.900 77.715 22.723 21.478 -99.200 -91.000 PHE 166 1.000 71.720 23.064 22.393 -99.200 -91.000 TYR 175 0.840 59.808 32.359 18.033 -99.200 -91.000 TRP 188 1.040 80.702 27.130 37.546 -99.200 -91.000 TRP6 188 1.020 79.196 25.506 38.398 -99.200 -91.000 HIS 199 0.900 62.929 39.567 22.869 -99.200 -91.000