============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TRP 14 1.040 -44.146 -20.009 26.305 -99.200 -91.000 TRP6 14 1.020 -45.998 -19.360 24.996 -99.200 -91.000 PHE 19 1.000 -28.228 -25.398 26.546 -99.200 -91.000 TRP 37 1.040 -36.351 -7.084 30.617 -99.200 -91.000 TRP6 37 1.020 -34.910 -6.847 32.476 -99.200 -91.000 HIS 43 0.900 -33.943 -24.177 42.002 -99.200 -91.000 TYR 47 0.840 -29.970 -24.946 46.761 -99.200 -91.000 TRP 49 1.040 -27.119 -29.275 46.306 -99.200 -91.000 TRP6 49 1.020 -28.819 -29.712 44.715 -99.200 -91.000 PHE 53 1.000 -23.909 -21.894 37.378 -99.200 -91.000 HIS 65 0.900 -39.581 -29.790 18.739 -99.200 -91.000 TYR 70 0.840 -27.004 -23.469 15.931 -99.200 -91.000 TYR 84 0.840 -31.572 -6.996 36.877 -99.200 -91.000 HIS 86 0.900 -37.865 -11.066 45.930 -99.200 -91.000 TYR 89 0.840 -33.218 -18.206 46.184 -99.200 -91.000 TRP 91 1.040 -29.335 -19.160 50.310 -99.200 -91.000 TRP6 91 1.020 -28.015 -20.485 51.770 -99.200 -91.000 TYR 113 0.840 -40.196 -22.275 13.869 -99.200 -91.000 HIS 115 0.900 -45.320 -13.743 20.270 -99.200 -91.000 HIS 129 0.900 -60.483 -19.830 41.219 -99.200 -91.000 PHE 132 1.000 -60.737 -23.961 36.669 -99.200 -91.000 TRP 139 1.040 -35.696 -29.760 25.710 -99.200 -91.000 TRP6 139 1.020 -35.901 -27.410 25.895 -99.200 -91.000 PHE 177 1.000 -48.661 -22.297 40.887 -99.200 -91.000 TYR 181 0.840 -52.981 -35.769 36.429 -99.200 -91.000 PHE 200 1.000 -48.909 -25.005 36.281 -99.200 -91.000 TYR 206 0.840 -62.018 -14.720 31.022 -99.200 -91.000 TRP 210 1.040 -51.249 -20.566 25.038 -99.200 -91.000 TRP6 210 1.020 -51.489 -22.675 26.072 -99.200 -91.000 TYR 211 0.840 -52.895 -13.752 30.348 -99.200 -91.000 TRP 218 1.040 -40.180 -25.933 46.589 -99.200 -91.000 TRP6 218 1.020 -41.048 -27.351 48.255 -99.200 -91.000 TYR 228 0.840 -50.280 -33.508 45.325 -99.200 -91.000 PHE 230 1.000 -45.031 -27.519 47.277 -99.200 -91.000 TYR 231 0.840 -45.251 -26.292 39.067 -99.200 -91.000 HIS 233 0.900 -49.284 -17.241 42.892 -99.200 -91.000 PHE 235 1.000 -51.493 -11.149 40.251 -99.200 -91.000 TRP 239 1.040 -38.078 -8.188 42.399 -99.200 -91.000 TRP6 239 1.020 -37.338 -10.006 41.074 -99.200 -91.000