============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 28 1.000 12.041 65.950 13.949 -99.200 -91.000 HIS 29 0.900 16.477 70.395 20.183 -99.200 -91.000 TRP 37 1.040 1.947 59.009 19.628 -99.200 -91.000 TRP6 37 1.020 2.136 58.967 21.991 -99.200 -91.000 TRP 49 1.040 10.159 57.417 10.211 -99.200 -91.000 TRP6 49 1.020 12.070 58.068 11.489 -99.200 -91.000 TYR 67 0.840 23.450 55.410 23.782 -99.200 -91.000 TYR 69 0.840 27.565 50.288 17.451 -99.200 -91.000 TYR 74 0.840 18.871 56.049 24.020 -99.200 -91.000 PHE 78 1.000 23.793 62.269 17.186 -99.200 -91.000 TRP 90 1.040 18.642 51.880 10.566 -99.200 -91.000 TRP6 90 1.020 18.377 50.653 12.599 -99.200 -91.000 TRP 93 1.040 16.543 41.870 5.980 -99.200 -91.000 TRP6 93 1.020 17.115 40.306 7.663 -99.200 -91.000 TYR 125 0.840 13.574 34.676 13.562 -99.200 -91.000 TRP 131 1.040 9.891 47.215 12.838 -99.200 -91.000 TRP6 131 1.020 8.826 48.762 14.300 -99.200 -91.000 TYR 145 0.840 -11.921 33.765 -1.062 -99.200 -91.000 PHE 147 1.000 -7.907 20.891 0.338 -99.200 -91.000 TYR 160 0.840 -13.338 25.962 13.664 -99.200 -91.000 TRP 173 1.040 -9.444 35.844 8.573 -99.200 -91.000 TRP6 173 1.020 -9.006 34.891 10.697 -99.200 -91.000 TYR 176 0.840 -3.339 44.930 13.357 -99.200 -91.000 TRP 216 1.040 1.033 33.816 11.543 -99.200 -91.000 TRP6 216 1.020 1.359 31.468 11.499 -99.200 -91.000 PHE 218 1.000 -0.944 36.270 4.097 -99.200 -91.000 TYR 248 0.840 2.569 17.977 7.607 -99.200 -91.000 TRP 258 1.040 -3.248 28.899 3.363 -99.200 -91.000 TRP6 258 1.020 -5.215 28.364 4.532 -99.200 -91.000