============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 14 0.840 -32.415 -3.966 28.277 -99.200 -91.000 TYR 34 0.840 -41.590 -0.762 36.225 -99.200 -91.000 TYR 36 0.840 -35.865 -3.730 35.228 -99.200 -91.000 HIS 54 0.900 -11.881 16.623 33.286 -99.200 -91.000 HIS 57 0.900 -5.450 7.004 35.521 -99.200 -91.000 TRP 79 1.040 -13.875 0.593 52.368 -99.200 -91.000 TRP6 79 1.020 -13.385 0.324 54.668 -99.200 -91.000 TYR 80 0.840 -16.156 -3.584 46.341 -99.200 -91.000 PHE 90 1.000 -18.694 -0.103 53.605 -99.200 -91.000 PHE 99 1.000 -13.996 8.167 44.377 -99.200 -91.000 TRP 108 1.040 -5.320 -7.532 32.467 -99.200 -91.000 TRP6 108 1.020 -5.469 -9.433 31.071 -99.200 -91.000 TYR 127 0.840 -42.515 -10.917 48.439 -99.200 -91.000 TRP 134 1.040 -46.873 -5.241 42.676 -99.200 -91.000 TRP6 134 1.020 -47.202 -7.514 42.090 -99.200 -91.000 PHE 147 1.000 -24.484 -4.532 43.276 -99.200 -91.000 TYR 151 0.840 -33.872 4.047 44.136 -99.200 -91.000 TYR 169 0.840 -42.489 4.180 42.988 -99.200 -91.000 PHE 171 1.000 -31.103 6.606 47.731 -99.200 -91.000 TYR 179 0.840 -27.842 17.579 39.732 -99.200 -91.000 TYR 185 0.840 -43.479 9.610 35.737 -99.200 -91.000 TYR 186 0.840 -38.209 6.874 31.580 -99.200 -91.000 PHE 192 1.000 -41.696 -2.925 41.068 -99.200 -91.000 HIS 195 0.900 -38.835 2.239 56.529 -99.200 -91.000 PHE 207 1.000 -18.742 9.088 42.763 -99.200 -91.000 HIS 210 0.900 -20.254 9.649 36.685 -99.200 -91.000 PHE 215 1.000 -25.198 14.377 37.950 -99.200 -91.000 PHE 220 1.000 -30.698 0.068 47.768 -99.200 -91.000 PHE 221 1.000 -22.043 -3.118 48.140 -99.200 -91.000 PHE 234 1.000 -34.173 1.889 50.436 -99.200 -91.000 TYR 236 0.840 -38.906 3.351 51.465 -99.200 -91.000 PHE 240 1.000 -41.717 7.008 52.244 -99.200 -91.000 TRP 241 1.040 -41.319 5.915 57.083 -99.200 -91.000 TRP6 241 1.020 -43.360 4.835 56.543 -99.200 -91.000 TYR 247 0.840 -51.119 12.005 52.303 -99.200 -91.000 PHE 248 1.000 -47.759 5.306 52.768 -99.200 -91.000 HIS 259 0.900 -40.852 5.890 60.650 -99.200 -91.000