============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 1 1.000 -5.559 30.078 64.975 -99.200 -91.000 TYR 7 0.840 -2.872 35.035 58.274 -99.200 -91.000 HIS 10 0.900 2.356 41.040 62.963 -99.200 -91.000 PHE 11 1.000 -0.001 36.971 53.727 -99.200 -91.000 TYR 16 0.840 2.080 33.822 50.321 -99.200 -91.000 TYR 20 0.840 5.935 30.912 50.876 -99.200 -91.000 TYR 21 0.840 2.735 31.138 45.389 -99.200 -91.000 PHE 23 1.000 8.091 28.406 38.132 -99.200 -91.000 HIS 27 0.900 13.027 32.679 47.377 -99.200 -91.000 HIS 36 0.900 6.203 18.171 41.710 -99.200 -91.000 PHE 42 1.000 -2.979 19.905 32.041 -99.200 -91.000 PHE 45 1.000 -9.884 23.779 38.920 -99.200 -91.000 TYR 65 0.840 -0.842 28.834 43.302 -99.200 -91.000 PHE 74 1.000 -15.534 25.555 37.407 -99.200 -91.000 TYR 82 0.840 -10.007 38.296 58.492 -99.200 -91.000 TRP 88 1.040 -6.349 47.227 49.568 -99.200 -91.000 TRP6 88 1.020 -5.091 47.774 51.513 -99.200 -91.000 TRP 93 1.040 -1.466 39.677 37.155 -99.200 -91.000 TRP6 93 1.020 -3.339 38.437 36.423 -99.200 -91.000 PHE 101 1.000 5.077 37.991 41.981 -99.200 -91.000 TRP 103 1.040 0.900 36.581 39.445 -99.200 -91.000 TRP6 103 1.020 1.303 34.762 40.907 -99.200 -91.000 TYR 109 0.840 5.627 24.225 34.909 -99.200 -91.000 TYR 172 0.840 -9.163 20.901 57.617 -99.200 -91.000 PHE 188 1.000 -17.335 18.257 40.257 -99.200 -91.000 TYR 199 0.840 7.810 26.856 61.079 -99.200 -91.000 TYR 200 0.840 2.106 30.709 56.060 -99.200 -91.000 PHE 207 1.000 2.008 35.387 58.759 -99.200 -91.000 TRP 214 1.040 -2.145 10.243 53.091 -99.200 -91.000 TRP6 214 1.020 -3.990 9.019 52.264 -99.200 -91.000 TYR 226 0.840 -17.673 18.387 50.378 -99.200 -91.000 PHE 231 1.000 -6.080 13.151 49.784 -99.200 -91.000 TYR 238 0.840 5.943 25.149 50.896 -99.200 -91.000 PHE 249 1.000 -4.950 18.560 51.249 -99.200 -91.000