============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. HIS 14 0.900 0.458 38.465 -14.681 -99.200 -91.000 PHE 15 1.000 8.431 39.225 -12.052 -99.200 -91.000 TRP 19 1.040 -7.732 39.492 -4.034 -99.200 -91.000 TRP6 19 1.020 -8.786 37.495 -3.372 -99.200 -91.000 HIS 20 0.900 -2.517 38.235 -10.193 -99.200 -91.000 TYR 23 0.840 -9.243 30.979 -17.244 -99.200 -91.000 TRP 43 1.040 4.008 30.111 -1.827 -99.200 -91.000 TRP6 43 1.020 3.967 27.853 -1.160 -99.200 -91.000 PHE 46 1.000 -5.999 26.679 1.945 -99.200 -91.000 PHE 56 1.000 -12.287 33.579 8.781 -99.200 -91.000 TYR 57 0.840 -19.403 29.522 16.096 -99.200 -91.000 TRP 60 1.040 -21.026 20.967 4.884 -99.200 -91.000 TRP6 60 1.020 -19.227 19.778 5.865 -99.200 -91.000 TYR 63 0.840 -15.575 27.975 7.559 -99.200 -91.000 PHE 67 1.000 -16.122 32.246 5.727 -99.200 -91.000 PHE 74 1.000 -8.921 35.130 1.052 -99.200 -91.000 TRP 75 1.040 -12.767 28.259 3.764 -99.200 -91.000 TRP6 75 1.020 -10.883 27.285 4.773 -99.200 -91.000 HIS 82 0.900 -12.098 17.774 -4.585 -99.200 -91.000 PHE 99 1.000 -2.244 40.814 17.651 -99.200 -91.000 TYR 103 0.840 6.697 38.513 9.243 -99.200 -91.000 PHE 105 1.000 8.984 28.590 7.432 -99.200 -91.000 TYR 108 0.840 2.473 20.642 7.313 -99.200 -91.000 PHE 111 1.000 -4.286 21.564 2.129 -99.200 -91.000 TYR 120 0.840 -16.272 20.168 1.247 -99.200 -91.000 PHE 127 1.000 7.157 20.543 10.223 -99.200 -91.000 PHE 138 1.000 -4.339 15.731 17.046 -99.200 -91.000 HIS 139 0.900 -6.412 18.853 13.665 -99.200 -91.000 PHE 144 1.000 -13.620 22.388 7.359 -99.200 -91.000 PHE 162 1.000 -11.730 23.426 22.021 -99.200 -91.000 TRP 166 1.040 -8.273 22.676 12.050 -99.200 -91.000 TRP6 166 1.020 -7.571 24.427 10.649 -99.200 -91.000 TRP 167 1.040 -9.759 19.394 7.290 -99.200 -91.000 TRP6 167 1.020 -8.470 21.358 7.205 -99.200 -91.000 TYR 168 0.840 -12.804 22.112 15.036 -99.200 -91.000 HIS 172 0.900 -7.591 23.417 18.784 -99.200 -91.000 TYR 180 0.840 -7.612 39.129 14.567 -99.200 -91.000 HIS 185 0.900 -6.519 32.944 23.344 -99.200 -91.000 PHE 188 1.000 -7.433 24.275 26.236 -99.200 -91.000 TRP 194 1.040 1.218 25.811 14.258 -99.200 -91.000 TRP6 194 1.020 0.031 25.210 12.324 -99.200 -91.000 TYR 200 0.840 -3.761 23.427 22.691 -99.200 -91.000 TYR 202 0.840 0.383 35.523 20.752 -99.200 -91.000 TYR 204 0.840 0.343 32.516 15.606 -99.200 -91.000