============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 5 0.840 37.950 45.823 21.310 -99.200 -91.000 TYR 12 0.840 42.063 58.266 23.540 -99.200 -91.000 PHE 26 1.000 26.105 67.712 30.927 -99.200 -91.000 HIS 42 0.900 19.006 58.783 15.586 -99.200 -91.000 PHE 47 1.000 29.955 49.177 9.574 -99.200 -91.000 PHE 57 1.000 34.054 54.481 12.798 -99.200 -91.000 HIS 62 0.900 31.453 65.999 10.501 -99.200 -91.000 HIS 68 0.900 21.754 63.002 7.360 -99.200 -91.000 PHE 88 1.000 37.434 64.878 30.313 -99.200 -91.000 TYR 93 0.840 34.399 66.590 18.918 -99.200 -91.000 PHE 96 1.000 32.799 63.606 25.834 -99.200 -91.000 TYR 97 0.840 29.451 63.227 20.059 -99.200 -91.000 PHE 115 1.000 34.500 53.741 25.492 -99.200 -91.000 HIS 116 0.900 37.050 46.737 24.775 -99.200 -91.000 HIS 140 0.900 13.089 49.963 7.722 -99.200 -91.000 PHE 145 1.000 18.387 47.853 14.450 -99.200 -91.000 HIS 163 0.900 12.629 52.923 21.102 -99.200 -91.000 HIS 169 0.900 10.918 64.518 23.043 -99.200 -91.000 PHE 175 1.000 5.403 57.682 15.343 -99.200 -91.000 TRP 179 1.040 8.571 53.495 23.214 -99.200 -91.000 TRP6 179 1.020 9.948 55.357 22.736 -99.200 -91.000 PHE 186 1.000 18.517 49.980 29.834 -99.200 -91.000 TYR 190 0.840 10.363 48.251 23.912 -99.200 -91.000 PHE 191 1.000 12.110 44.031 25.815 -99.200 -91.000 PHE 217 1.000 12.531 40.599 14.947 -99.200 -91.000 TYR 224 0.840 15.415 39.960 25.606 -99.200 -91.000 PHE 231 1.000 16.341 44.777 28.287 -99.200 -91.000 PHE 232 1.000 19.251 45.418 33.461 -99.200 -91.000 TYR 235 0.840 20.825 47.838 26.033 -99.200 -91.000 HIS 239 0.900 24.939 50.736 24.515 -99.200 -91.000 PHE 247 1.000 37.045 50.844 18.011 -99.200 -91.000