============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. TYR 15 0.840 29.323 1.707 42.321 -99.200 -91.000 TYR 21 0.840 25.373 4.151 55.318 -99.200 -91.000 PHE 51 1.000 21.616 -8.394 40.027 -99.200 -91.000 TRP 54 1.040 16.398 -16.914 38.541 -99.200 -91.000 TRP6 54 1.020 17.090 -17.332 40.765 -99.200 -91.000 PHE 63 1.000 12.795 -3.799 44.001 -99.200 -91.000 TYR 65 0.840 8.757 1.342 44.960 -99.200 -91.000 TYR 78 0.840 17.309 -5.440 41.545 -99.200 -91.000 TRP 83 1.040 27.239 2.158 37.915 -99.200 -91.000 TRP6 83 1.020 26.509 3.211 35.923 -99.200 -91.000 TYR 85 0.840 26.303 -9.466 37.490 -99.200 -91.000 TYR 86 0.840 24.382 -6.597 34.160 -99.200 -91.000 PHE 102 1.000 0.824 -0.491 44.756 -99.200 -91.000 HIS 105 0.900 -3.758 -4.660 48.637 -99.200 -91.000 PHE 109 1.000 -2.266 5.265 55.321 -99.200 -91.000 PHE 115 1.000 7.716 7.757 48.091 -99.200 -91.000 TYR 123 0.840 13.883 5.807 43.049 -99.200 -91.000 TYR 128 0.840 0.521 -6.269 36.587 -99.200 -91.000 PHE 142 1.000 3.046 -10.594 43.510 -99.200 -91.000 PHE 145 1.000 4.192 -9.409 37.483 -99.200 -91.000 PHE 149 1.000 4.551 -8.135 32.291 -99.200 -91.000 HIS 161 0.900 15.498 -13.495 58.631 -99.200 -91.000 PHE 165 1.000 2.496 -15.237 59.667 -99.200 -91.000 HIS 168 0.900 11.039 -20.783 61.026 -99.200 -91.000 TRP 179 1.040 1.710 -17.110 47.847 -99.200 -91.000 TRP6 179 1.020 2.182 -14.900 47.108 -99.200 -91.000 PHE 182 1.000 6.513 -15.371 42.675 -99.200 -91.000 TYR 183 0.840 14.034 -20.465 42.930 -99.200 -91.000 HIS 190 0.900 21.083 -8.789 55.446 -99.200 -91.000 TRP 191 1.040 19.547 -4.386 55.083 -99.200 -91.000 TRP6 191 1.020 20.175 -2.119 54.836 -99.200 -91.000 TRP 197 1.040 13.819 4.548 60.962 -99.200 -91.000 TRP6 197 1.020 12.060 5.121 59.451 -99.200 -91.000 PHE 199 1.000 21.563 2.920 51.718 -99.200 -91.000 TYR 202 0.840 25.271 9.149 53.258 -99.200 -91.000 TYR 211 0.840 7.680 5.247 56.152 -99.200 -91.000 TYR 213 0.840 2.956 15.199 58.238 -99.200 -91.000 PHE 215 1.000 0.756 7.175 59.640 -99.200 -91.000 HIS 229 0.900 5.642 2.104 72.050 -99.200 -91.000 PHE 243 1.000 18.710 6.612 62.631 -99.200 -91.000 TRP 245 1.040 28.035 12.424 60.408 -99.200 -91.000 TRP6 245 1.020 28.065 11.174 58.410 -99.200 -91.000 TYR 251 0.840 25.672 10.944 46.791 -99.200 -91.000 HIS 253 0.900 20.251 14.007 45.352 -99.200 -91.000 HIS 276 0.900 -8.225 16.938 68.512 -99.200 -91.000 TYR 279 0.840 1.354 10.441 67.117 -99.200 -91.000 TYR 280 0.840 9.744 13.076 69.624 -99.200 -91.000 TRP 283 1.040 13.556 10.772 60.947 -99.200 -91.000 TRP6 283 1.020 12.067 11.087 59.116 -99.200 -91.000 TYR 284 0.840 13.311 12.079 66.616 -99.200 -91.000