============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 1 0.840 -8.282 60.270 39.896 -99.200 -91.000 PHE 30 1.000 -1.061 71.814 33.063 -99.200 -91.000 TYR 32 0.840 -0.747 66.107 29.404 -99.200 -91.000 TRP 33 1.040 -8.912 66.457 26.298 -99.200 -91.000 TRP6 33 1.020 -10.732 64.972 26.504 -99.200 -91.000 PHE 34 1.000 -2.158 61.602 24.205 -99.200 -91.000 TYR 47 0.840 0.799 70.995 24.526 -99.200 -91.000 PHE 60 1.000 -9.786 68.036 17.020 -99.200 -91.000 TYR 84 0.840 -11.805 62.426 19.274 -99.200 -91.000 TYR 85 0.840 -8.635 56.010 24.117 -99.200 -91.000 TYR 90 0.840 -3.710 57.477 40.479 -99.200 -91.000 PHE 97 1.000 -3.454 57.007 28.531 -99.200 -91.000 PHE 118 1.000 -20.069 35.653 -1.225 -99.200 -91.000 PHE 139 1.000 -24.657 49.147 7.189 -99.200 -91.000 TYR 140 0.840 -24.295 57.819 7.920 -99.200 -91.000 TRP 148 1.040 -26.789 34.383 9.783 -99.200 -91.000 TRP6 148 1.020 -25.602 33.349 8.017 -99.200 -91.000 TYR 171 0.840 -21.426 53.603 9.640 -99.200 -91.000 TYR 176 0.840 -17.295 35.434 9.257 -99.200 -91.000 TRP 184 1.040 -23.962 23.158 3.070 -99.200 -91.000 TRP6 184 1.020 -25.194 24.538 1.604 -99.200 -91.000 HIS 187 0.900 -29.717 24.099 8.095 -99.200 -91.000 HIS 196 0.900 -30.281 51.409 7.159 -99.200 -91.000