============================================================================= 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 5 0.840 7.510 16.104 24.672 -99.200 -91.000 TYR 12 0.840 8.817 18.876 0.011 -99.200 -91.000 PHE 32 1.000 -0.991 25.591 21.518 -99.200 -91.000 HIS 35 0.900 3.656 33.530 12.455 -99.200 -91.000 TYR 36 0.840 7.779 33.379 11.683 -99.200 -91.000 PHE 50 1.000 2.377 12.316 8.518 -99.200 -91.000 TYR 51 0.840 1.399 16.142 12.793 -99.200 -91.000 TYR 81 0.840 18.460 24.314 21.026 -99.200 -91.000 HIS 86 0.900 11.928 28.504 17.043 -99.200 -91.000 PHE 90 1.000 14.660 26.723 24.146 -99.200 -91.000 HIS 104 0.900 18.272 18.869 19.118 -99.200 -91.000 TYR 120 0.840 33.537 20.901 9.225 -99.200 -91.000 PHE 122 1.000 28.456 28.864 4.413 -99.200 -91.000 PHE 130 1.000 10.744 42.786 3.121 -99.200 -91.000 TRP 131 1.040 17.111 49.085 4.233 -99.200 -91.000 TRP6 131 1.020 18.592 50.181 2.753 -99.200 -91.000 HIS 134 0.900 12.719 59.487 7.821 -99.200 -91.000 TRP 135 1.040 14.610 49.939 10.502 -99.200 -91.000 TRP6 135 1.020 16.093 50.328 12.298 -99.200 -91.000 TYR 140 0.840 23.017 44.056 5.391 -99.200 -91.000 TYR 141 0.840 29.238 47.169 3.489 -99.200 -91.000 HIS 153 0.900 32.860 29.658 1.629 -99.200 -91.000 TYR 169 0.840 7.726 33.940 3.858 -99.200 -91.000 HIS 187 0.900 32.555 55.058 -0.224 -99.200 -91.000 TYR 191 0.840 28.281 43.403 -1.020 -99.200 -91.000 TYR 212 0.840 29.232 30.181 -8.325 -99.200 -91.000 HIS 220 0.900 17.505 42.975 -13.093 -99.200 -91.000 TYR 221 0.840 17.312 32.450 -12.286 -99.200 -91.000 PHE 223 1.000 17.225 33.160 -7.553 -99.200 -91.000 HIS 228 0.900 13.325 33.510 -3.108 -99.200 -91.000 TYR 247 0.840 27.892 19.132 -11.236 -99.200 -91.000 PHE 248 1.000 23.960 23.490 -7.720 -99.200 -91.000 TYR 250 0.840 22.011 34.153 -15.462 -99.200 -91.000