============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 2 1.000 24.615 3.423 48.646 -99.200 -91.000 TYR 4 0.840 35.591 -0.910 49.870 -99.200 -91.000 PHE 34 1.000 43.140 -7.676 38.126 -99.200 -91.000 TYR 44 0.840 31.161 -4.479 49.666 -99.200 -91.000 PHE 46 1.000 22.499 -0.735 45.386 -99.200 -91.000 PHE 53 1.000 10.127 0.813 48.523 -99.200 -91.000 TYR 63 0.840 17.940 5.325 40.642 -99.200 -91.000 HIS 80 0.900 42.517 -3.780 50.455 -99.200 -91.000 PHE 81 1.000 41.428 -7.918 48.545 -99.200 -91.000 PHE 82 1.000 43.467 -8.331 42.770 -99.200 -91.000 PHE 86 1.000 40.517 -3.003 39.504 -99.200 -91.000 PHE 101 1.000 18.874 3.070 34.650 -99.200 -91.000 TRP 110 1.040 9.640 -7.704 44.531 -99.200 -91.000 TRP6 110 1.020 8.941 -9.489 43.144 -99.200 -91.000 TRP 116 1.040 -1.098 -1.237 43.626 -99.200 -91.000 TRP6 116 1.020 -2.072 0.888 43.357 -99.200 -91.000 TRP 125 1.040 0.900 4.768 51.615 -99.200 -91.000 TRP6 125 1.020 1.324 3.605 49.598 -99.200 -91.000 TYR 131 0.840 8.093 6.739 48.630 -99.200 -91.000 PHE 153 1.000 9.380 -13.528 28.788 -99.200 -91.000 TRP 155 1.040 5.885 -8.674 23.638 -99.200 -91.000 TRP6 155 1.020 3.562 -8.701 23.213 -99.200 -91.000 PHE 170 1.000 -1.111 -10.290 12.226 -99.200 -91.000 PHE 197 1.000 -0.135 -17.234 40.495 -99.200 -91.000 TRP 203 1.040 2.588 -12.693 43.780 -99.200 -91.000 TRP6 203 1.020 4.287 -12.489 42.154 -99.200 -91.000 TYR 222 0.840 11.021 -15.364 33.423 -99.200 -91.000 PHE 240 1.000 14.407 -0.303 34.099 -99.200 -91.000 TYR 250 0.840 15.732 5.038 16.241 -99.200 -91.000 TYR 254 0.840 9.838 -3.271 15.158 -99.200 -91.000 PHE 274 1.000 8.236 -0.534 25.641 -99.200 -91.000 HIS 277 0.900 12.012 4.138 34.201 -99.200 -91.000 PHE 287 1.000 14.214 14.120 27.361 -99.200 -91.000 TYR 290 0.840 12.683 6.999 23.188 -99.200 -91.000 TYR 296 0.840 -1.981 -2.064 13.207 -99.200 -91.000 HIS 306 0.900 -1.898 4.773 22.033 -99.200 -91.000 TYR 313 0.840 11.363 8.819 36.004 -99.200 -91.000 PHE 325 1.000 5.302 0.696 39.388 -99.200 -91.000 PHE 326 1.000 4.502 3.453 45.821 -99.200 -91.000 PHE 328 1.000 1.391 3.244 34.727 -99.200 -91.000