============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 27 0.840 -34.340 50.951 -6.418 -99.200 -91.000 PHE 29 1.000 -36.667 45.000 -6.407 -99.200 -91.000 TYR 32 0.840 -31.091 51.613 -10.700 -99.200 -91.000 TRP 36 1.040 -27.612 41.047 -0.939 -99.200 -91.000 TRP6 36 1.020 -28.746 41.213 1.140 -99.200 -91.000 TRP 47 1.040 -20.057 42.612 -4.771 -99.200 -91.000 TRP6 47 1.020 -19.799 41.004 -6.461 -99.200 -91.000 TRP 50 1.040 -25.672 41.779 -9.739 -99.200 -91.000 TRP6 50 1.020 -24.854 41.039 -11.806 -99.200 -91.000 TYR 54 0.840 -32.160 43.928 -17.284 -99.200 -91.000 TYR 60 0.840 -25.042 32.972 -4.387 -99.200 -91.000 PHE 64 1.000 -18.752 35.990 1.613 -99.200 -91.000 PHE 68 1.000 -22.271 33.094 3.439 -99.200 -91.000 PHE 70 1.000 -26.450 37.037 -2.689 -99.200 -91.000 TYR 80 0.840 -36.938 38.282 1.229 -99.200 -91.000 TYR 93 0.840 -23.655 39.610 6.836 -99.200 -91.000 PHE 94 1.000 -23.467 48.596 5.570 -99.200 -91.000 TYR 100 0.840 -28.396 45.917 -14.598 -99.200 -91.000 TRP 103 1.040 -20.588 48.267 -15.073 -99.200 -91.000 TRP6 103 1.020 -18.660 47.324 -16.052 -99.200 -91.000 TYR 104 0.840 -22.722 55.193 -9.909 -99.200 -91.000 PHE 105 1.000 -21.358 47.729 -5.307 -99.200 -91.000 TRP 108 1.040 -23.351 51.915 -0.262 -99.200 -91.000 TRP6 108 1.020 -21.876 50.216 0.376 -99.200 -91.000 TYR 127 0.840 -15.651 42.446 40.307 -99.200 -91.000 TYR 150 0.840 -21.088 43.688 29.169 -99.200 -91.000 PHE 151 1.000 -23.615 37.208 24.595 -99.200 -91.000 TRP 159 1.040 -18.142 57.139 35.836 -99.200 -91.000 TRP6 159 1.020 -16.939 56.141 37.584 -99.200 -91.000 HIS 169 0.900 -11.399 59.789 28.550 -99.200 -91.000 PHE 171 1.000 -10.616 53.380 28.544 -99.200 -91.000 TYR 180 0.840 -19.823 41.320 24.361 -99.200 -91.000 HIS 204 0.900 -26.472 42.930 30.642 -99.200 -91.000