============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 2 1.000 25.748 16.117 15.038 -99.200 -91.000 PHE 15 1.000 -2.581 8.867 17.855 -99.200 -91.000 TYR 31 0.840 -2.934 4.144 42.274 -99.200 -91.000 TRP 49 1.040 8.642 6.086 18.417 -99.200 -91.000 TRP6 49 1.020 7.172 7.812 19.141 -99.200 -91.000 PHE 54 1.000 12.689 -5.703 3.455 -99.200 -91.000 TRP 72 1.040 22.990 10.255 14.014 -99.200 -91.000 TRP6 72 1.020 24.840 8.823 13.974 -99.200 -91.000 HIS 78 0.900 19.873 -8.904 19.647 -99.200 -91.000 TYR 82 0.840 24.511 -14.115 18.810 -99.200 -91.000 TRP 84 1.040 22.638 -18.047 16.527 -99.200 -91.000 TRP6 84 1.020 20.590 -17.015 17.060 -99.200 -91.000 PHE 88 1.000 22.910 -9.153 8.405 -99.200 -91.000 HIS 100 0.900 -1.121 0.094 10.532 -99.200 -91.000 TYR 105 0.840 7.729 1.120 -1.782 -99.200 -91.000 TYR 119 0.840 29.458 5.285 13.846 -99.200 -91.000 HIS 121 0.900 29.552 0.139 24.570 -99.200 -91.000 TYR 124 0.840 26.883 -7.242 20.975 -99.200 -91.000 TRP 126 1.040 30.465 -11.104 20.376 -99.200 -91.000 TRP6 126 1.020 31.384 -13.293 20.121 -99.200 -91.000 PHE 145 1.000 12.129 14.243 11.362 -99.200 -91.000 TYR 148 0.840 1.056 8.836 7.488 -99.200 -91.000 HIS 150 0.900 7.609 14.238 15.240 -99.200 -91.000 TYR 167 0.840 6.007 4.580 37.492 -99.200 -91.000 TRP 174 1.040 5.389 -4.648 11.381 -99.200 -91.000 TRP6 174 1.020 6.820 -2.800 11.315 -99.200 -91.000 TRP 181 1.040 13.136 -26.043 14.020 -99.200 -91.000 TRP6 181 1.020 15.391 -26.500 14.539 -99.200 -91.000 PHE 219 1.000 14.190 -1.216 30.892 -99.200 -91.000 TYR 223 0.840 0.556 -7.118 31.713 -99.200 -91.000 PHE 242 1.000 9.668 -0.771 28.076 -99.200 -91.000 PHE 248 1.000 7.048 14.639 35.941 -99.200 -91.000 TRP 252 1.040 4.382 9.012 23.271 -99.200 -91.000 TRP6 252 1.020 3.669 7.030 24.301 -99.200 -91.000 TYR 253 0.840 11.256 11.983 27.539 -99.200 -91.000 TRP 260 1.040 18.662 -10.784 26.374 -99.200 -91.000 TRP6 260 1.020 18.440 -11.193 28.659 -99.200 -91.000 TYR 270 0.840 9.321 -11.514 34.428 -99.200 -91.000 PHE 272 1.000 15.377 -10.606 31.252 -99.200 -91.000 TYR 273 0.840 12.308 -4.635 27.136 -99.200 -91.000 HIS 275 0.900 18.690 1.866 32.643 -99.200 -91.000 PHE 277 1.000 20.422 8.712 32.397 -99.200 -91.000 TRP 282 1.040 28.976 3.999 22.474 -99.200 -91.000 TRP6 282 1.020 27.391 3.312 20.863 -99.200 -91.000 PHE 290 1.000 32.767 8.046 15.375 -99.200 -91.000