============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 7 0.900 -27.997 -1.642 39.771 -99.200 -91.000 TYR 11 0.840 -13.247 -3.766 39.564 -99.200 -91.000 HIS 19 0.900 -0.840 11.402 36.744 -99.200 -91.000 HIS 20 0.900 -0.680 3.539 37.412 -99.200 -91.000 PHE 21 1.000 -5.878 6.859 34.393 -99.200 -91.000 TYR 32 0.840 -33.504 -5.296 26.414 -99.200 -91.000 PHE 50 1.000 -5.184 12.018 32.104 -99.200 -91.000 PHE 52 1.000 -13.102 11.217 34.219 -99.200 -91.000 PHE 59 1.000 -14.399 5.991 33.310 -99.200 -91.000 PHE 63 1.000 -26.203 -0.675 30.501 -99.200 -91.000 HIS 66 0.900 -28.025 -2.697 19.181 -99.200 -91.000 PHE 73 1.000 -20.539 -8.493 18.218 -99.200 -91.000 PHE 74 1.000 -21.757 -4.197 20.771 -99.200 -91.000 PHE 78 1.000 -23.358 -9.555 28.213 -99.200 -91.000 PHE 82 1.000 -19.573 -6.555 24.745 -99.200 -91.000 TRP 84 1.040 -15.083 -1.697 24.678 -99.200 -91.000 TRP6 84 1.020 -13.467 0.037 24.936 -99.200 -91.000 TYR 90 0.840 -8.173 12.970 21.711 -99.200 -91.000 TYR 111 0.840 -19.207 -2.204 31.496 -99.200 -91.000 PHE 120 1.000 -3.514 12.449 24.566 -99.200 -91.000 TRP 134 1.040 -15.949 13.748 24.821 -99.200 -91.000 TRP6 134 1.020 -14.232 13.739 23.193 -99.200 -91.000 TYR 142 0.840 -16.633 -1.581 9.228 -99.200 -91.000 HIS 163 0.900 -16.843 22.041 18.672 -99.200 -91.000 TYR 172 0.840 -17.276 -2.161 19.184 -99.200 -91.000 TYR 187 0.840 -25.502 -1.742 14.309 -99.200 -91.000 TYR 188 0.840 -24.966 3.989 9.245 -99.200 -91.000 TYR 204 0.840 -18.662 11.473 42.411 -99.200 -91.000 HIS 208 0.900 -27.976 9.803 30.849 -99.200 -91.000 TYR 215 0.840 -30.460 -2.441 9.767 -99.200 -91.000