============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 11 0.840 4.015 -5.394 -1.551 -99.200 -91.000 PHE 12 1.000 -4.386 -1.213 -0.191 -99.200 -91.000 HIS 22 0.900 -29.141 -5.764 4.468 -99.200 -91.000 TRP 40 1.040 -9.100 -4.950 2.856 -99.200 -91.000 TRP6 40 1.020 -8.286 -5.606 0.733 -99.200 -91.000 TYR 42 0.840 -4.577 -2.187 4.876 -99.200 -91.000 PHE 68 1.000 -17.283 -14.231 16.848 -99.200 -91.000 PHE 72 1.000 -22.009 -9.214 22.105 -99.200 -91.000 TYR 96 0.840 8.853 -9.317 4.691 -99.200 -91.000 TYR 103 0.840 8.129 0.060 15.250 -99.200 -91.000 HIS 108 0.900 -10.563 -2.224 14.680 -99.200 -91.000 HIS 110 0.900 -13.985 -4.232 16.807 -99.200 -91.000 PHE 111 1.000 -13.671 -12.111 14.030 -99.200 -91.000 HIS 113 0.900 -9.654 -4.831 11.691 -99.200 -91.000 PHE 120 1.000 2.949 -11.098 13.720 -99.200 -91.000 TYR 132 0.840 -2.863 -3.270 27.081 -99.200 -91.000 HIS 137 0.900 -9.342 -3.582 32.687 -99.200 -91.000 TYR 141 0.840 -12.223 -5.156 22.376 -99.200 -91.000 HIS 149 0.900 2.412 -12.850 30.240 -99.200 -91.000 TYR 152 0.840 -0.007 -6.135 24.007 -99.200 -91.000 TYR 159 0.840 4.087 6.526 18.001 -99.200 -91.000 TYR 169 0.840 -7.687 8.182 20.017 -99.200 -91.000 HIS 173 0.900 -15.593 -0.601 14.054 -99.200 -91.000 HIS 177 0.900 -10.434 2.483 13.712 -99.200 -91.000 PHE 181 1.000 -1.844 11.651 5.238 -99.200 -91.000 TYR 198 0.840 -17.673 -1.968 9.444 -99.200 -91.000 PHE 203 1.000 -14.159 10.017 4.582 -99.200 -91.000 PHE 209 1.000 -18.846 2.804 10.629 -99.200 -91.000 PHE 212 1.000 -17.460 1.816 23.404 -99.200 -91.000 PHE 236 1.000 -6.638 2.554 -1.445 -99.200 -91.000 PHE 237 1.000 -13.711 5.007 1.953 -99.200 -91.000 HIS 239 0.900 -13.982 -4.993 7.639 -99.200 -91.000 PHE 250 1.000 2.352 -10.217 -2.405 -99.200 -91.000 TYR 253 0.840 5.229 -1.747 -5.663 -99.200 -91.000