============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. HIS 4 0.900 19.510 12.081 20.656 -99.200 -91.000 TRP 7 1.040 14.580 9.362 29.703 -99.200 -91.000 TRP6 7 1.020 14.987 10.434 31.778 -99.200 -91.000 TRP 26 1.040 -0.991 -7.600 28.550 -99.200 -91.000 TRP6 26 1.020 -1.219 -7.765 30.906 -99.200 -91.000 PHE 28 1.000 8.052 -8.912 28.856 -99.200 -91.000 HIS 61 0.900 -8.477 -9.893 29.054 -99.200 -91.000 TYR 67 0.840 -6.710 -0.543 25.762 -99.200 -91.000 PHE 68 1.000 0.292 0.409 27.390 -99.200 -91.000 TYR 72 0.840 0.959 2.580 33.710 -99.200 -91.000 TYR 74 0.840 -1.619 -6.119 39.949 -99.200 -91.000 TYR 87 0.840 5.263 -13.587 40.730 -99.200 -91.000 TYR 89 0.840 7.698 -13.731 30.731 -99.200 -91.000 PHE 92 1.000 2.480 -21.302 32.642 -99.200 -91.000 PHE 139 1.000 6.548 -2.366 14.401 -99.200 -91.000 HIS 141 0.900 12.771 -7.986 7.205 -99.200 -91.000 TYR 142 0.840 13.902 -1.064 12.822 -99.200 -91.000 PHE 147 1.000 8.977 0.797 9.935 -99.200 -91.000 HIS 157 0.900 4.203 -5.088 20.697 -99.200 -91.000 TYR 164 0.840 13.352 13.993 22.582 -99.200 -91.000 TYR 168 0.840 16.345 9.644 15.973 -99.200 -91.000 TRP 169 1.040 8.654 9.564 18.297 -99.200 -91.000 TRP6 169 1.020 8.689 10.870 20.266 -99.200 -91.000 TRP 175 1.040 8.254 -8.570 20.054 -99.200 -91.000 TRP6 175 1.020 7.519 -7.495 18.089 -99.200 -91.000 HIS 178 0.900 19.503 -12.440 19.593 -99.200 -91.000 TRP 179 1.040 12.188 -7.253 15.391 -99.200 -91.000 TRP6 179 1.020 11.311 -5.068 15.683 -99.200 -91.000 TYR 184 0.840 16.618 -0.449 23.298 -99.200 -91.000 PHE 203 1.000 -2.746 6.679 30.025 -99.200 -91.000 TYR 204 0.840 3.860 10.865 32.380 -99.200 -91.000