============================================================================= 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 15 0.840 15.146 7.266 47.292 -99.200 -91.000 PHE 20 1.000 11.221 -4.751 43.148 -99.200 -91.000 TYR 34 0.840 5.149 -6.354 42.130 -99.200 -91.000 PHE 38 1.000 11.594 -9.138 48.190 -99.200 -91.000 PHE 74 1.000 23.063 -13.667 44.658 -99.200 -91.000 TYR 88 0.840 21.790 -26.943 28.441 -99.200 -91.000 TYR 98 0.840 24.128 -28.374 54.302 -99.200 -91.000 PHE 114 1.000 4.212 -16.928 40.849 -99.200 -91.000 TYR 115 0.840 10.372 -17.860 34.135 -99.200 -91.000 TYR 122 0.840 18.769 -26.920 46.990 -99.200 -91.000 TRP 144 1.040 27.750 -32.591 42.117 -99.200 -91.000 TRP6 144 1.020 25.481 -31.942 42.056 -99.200 -91.000 PHE 150 1.000 27.267 -36.586 39.457 -99.200 -91.000 PHE 159 1.000 31.515 -18.755 38.883 -99.200 -91.000 HIS 173 0.900 35.282 -21.406 50.802 -99.200 -91.000 PHE 193 1.000 25.407 -8.712 43.276 -99.200 -91.000 PHE 197 1.000 33.769 -7.033 46.851 -99.200 -91.000 TRP 202 1.040 37.910 -2.639 44.219 -99.200 -91.000 TRP6 202 1.020 35.563 -3.048 44.000 -99.200 -91.000 PHE 204 1.000 42.594 -12.899 42.892 -99.200 -91.000 TYR 230 0.840 25.350 -0.633 73.516 -99.200 -91.000 TYR 231 0.840 34.119 -0.993 75.261 -99.200 -91.000 PHE 241 1.000 28.488 -19.237 81.622 -99.200 -91.000 TYR 248 0.840 20.271 -16.621 78.024 -99.200 -91.000 PHE 259 1.000 28.209 -14.981 64.649 -99.200 -91.000 HIS 261 0.900 39.696 -17.585 67.100 -99.200 -91.000 TRP 268 1.040 33.482 -24.109 78.443 -99.200 -91.000 TRP6 268 1.020 33.208 -21.735 78.607 -99.200 -91.000 HIS 278 0.900 20.261 -19.332 80.668 -99.200 -91.000 PHE 299 1.000 18.538 -18.707 65.460 -99.200 -91.000 PHE 328 1.000 32.238 -16.275 75.515 -99.200 -91.000 TYR 343 0.840 32.609 -5.389 64.826 -99.200 -91.000 HIS 345 0.900 30.452 -9.934 55.431 -99.200 -91.000 PHE 353 1.000 14.923 -4.252 52.260 -99.200 -91.000 HIS 367 0.900 45.673 -9.900 71.101 -99.200 -91.000 HIS 378 0.900 38.728 -1.266 58.282 -99.200 -91.000 PHE 379 1.000 34.315 -1.806 59.869 -99.200 -91.000