============================================================================= 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 4 1.000 7.708 -4.700 53.321 -99.200 -91.000 TYR 7 0.840 9.716 6.751 56.887 -99.200 -91.000 TYR 14 0.840 2.233 10.400 51.363 -99.200 -91.000 PHE 15 1.000 5.985 5.976 50.751 -99.200 -91.000 PHE 19 1.000 -0.495 0.067 53.821 -99.200 -91.000 PHE 23 1.000 2.137 2.987 49.200 -99.200 -91.000 TRP 25 1.040 5.309 3.023 43.423 -99.200 -91.000 TRP6 25 1.020 6.417 2.677 41.357 -99.200 -91.000 TYR 31 0.840 17.565 3.565 32.507 -99.200 -91.000 PHE 36 1.000 12.852 9.248 27.700 -99.200 -91.000 HIS 40 0.900 -0.760 3.585 38.548 -99.200 -91.000 TYR 51 0.840 4.072 -4.329 46.819 -99.200 -91.000 PHE 60 1.000 15.351 1.291 28.354 -99.200 -91.000 TRP 74 1.040 19.422 -0.852 39.391 -99.200 -91.000 TRP6 74 1.020 19.562 0.938 37.851 -99.200 -91.000 TYR 82 0.840 10.892 18.160 46.752 -99.200 -91.000 HIS 103 0.900 29.465 2.815 38.321 -99.200 -91.000 HIS 109 0.900 12.557 12.932 36.202 -99.200 -91.000 TYR 112 0.840 7.281 7.810 46.170 -99.200 -91.000 PHE 126 1.000 14.990 17.918 50.645 -99.200 -91.000 HIS 127 0.900 11.586 12.137 54.049 -99.200 -91.000 PHE 128 1.000 18.872 14.209 52.223 -99.200 -91.000 HIS 131 0.900 14.957 3.353 48.595 -99.200 -91.000 HIS 143 0.900 11.761 -19.214 37.683 -99.200 -91.000 TYR 144 0.840 15.801 -12.006 36.526 -99.200 -91.000 TYR 147 0.840 18.645 -7.070 51.453 -99.200 -91.000 TYR 154 0.840 14.705 15.266 59.302 -99.200 -91.000 HIS 163 0.900 17.704 25.672 58.520 -99.200 -91.000 HIS 164 0.900 14.864 18.383 61.356 -99.200 -91.000