============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 3 1.000 7.300 -13.513 9.591 -99.200 -91.000 HIS 8 0.900 -5.248 -9.310 21.679 -99.200 -91.000 PHE 33 1.000 -10.407 13.342 7.600 -99.200 -91.000 HIS 40 0.900 -8.211 3.920 10.206 -99.200 -91.000 TYR 43 0.840 -4.885 -1.060 7.616 -99.200 -91.000 PHE 69 1.000 -0.171 7.696 8.300 -99.200 -91.000 PHE 125 1.000 10.999 -10.569 13.767 -99.200 -91.000 PHE 130 1.000 13.672 -7.004 15.427 -99.200 -91.000 PHE 131 1.000 18.103 -7.540 7.264 -99.200 -91.000 PHE 150 1.000 12.111 -5.561 20.433 -99.200 -91.000 TYR 153 0.840 13.949 -12.686 17.207 -99.200 -91.000 HIS 165 0.900 9.021 5.653 7.878 -99.200 -91.000 PHE 169 1.000 13.569 0.786 0.258 -99.200 -91.000 HIS 199 0.900 17.113 -17.711 6.279 -99.200 -91.000 TYR 201 0.840 15.901 -13.189 5.036 -99.200 -91.000 TYR 216 0.840 2.710 -14.360 6.188 -99.200 -91.000 HIS 224 0.900 1.623 -19.561 5.152 -99.200 -91.000 HIS 228 0.900 -2.773 -7.812 -3.294 -99.200 -91.000 TYR 234 0.840 0.998 1.942 -6.564 -99.200 -91.000 TYR 241 0.840 1.869 -7.833 -3.645 -99.200 -91.000 HIS 247 0.900 1.440 -15.674 0.336 -99.200 -91.000