============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TYR 10 0.840 14.928 -43.381 9.375 -99.200 -91.000 TYR 45 0.840 35.073 -42.984 2.553 -99.200 -91.000 TRP 68 1.040 34.071 -43.450 -6.663 -99.200 -91.000 TRP6 68 1.020 35.395 -41.863 -7.780 -99.200 -91.000 TRP 69 1.040 31.364 -47.022 -3.509 -99.200 -91.000 TRP6 69 1.020 30.343 -45.211 -2.397 -99.200 -91.000 PHE 70 1.000 37.045 -51.693 -1.154 -99.200 -91.000 HIS 91 0.900 32.654 -46.268 -15.888 -99.200 -91.000 HIS 96 0.900 43.595 -39.276 -16.640 -99.200 -91.000 PHE 125 1.000 33.914 -55.967 -3.472 -99.200 -91.000 PHE 130 1.000 35.335 -64.524 -9.015 -99.200 -91.000 PHE 158 1.000 33.422 -68.277 1.886 -99.200 -91.000 HIS 160 0.900 28.011 -74.345 9.090 -99.200 -91.000 HIS 161 0.900 35.408 -73.537 5.396 -99.200 -91.000 PHE 168 1.000 39.533 -66.067 7.477 -99.200 -91.000 PHE 169 1.000 34.315 -62.019 15.627 -99.200 -91.000 TYR 183 0.840 40.690 -58.886 12.378 -99.200 -91.000