============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 6 1.000 11.820 -57.349 25.476 -99.200 -91.000 HIS 10 0.900 9.662 -62.564 18.524 -99.200 -91.000 PHE 16 1.000 12.024 -63.413 22.243 -99.200 -91.000 PHE 18 1.000 18.058 -56.712 17.584 -99.200 -91.000 HIS 21 0.900 21.761 -54.909 27.884 -99.200 -91.000 TYR 29 0.840 14.042 -64.451 31.094 -99.200 -91.000 PHE 42 1.000 11.418 -66.792 27.322 -99.200 -91.000 HIS 44 0.900 -0.848 -68.147 33.089 -99.200 -91.000 PHE 55 1.000 4.623 -63.737 17.579 -99.200 -91.000 PHE 70 1.000 3.142 -62.214 25.864 -99.200 -91.000 PHE 72 1.000 8.639 -62.464 28.400 -99.200 -91.000 TRP 79 1.040 2.816 -66.562 35.536 -99.200 -91.000 TRP6 79 1.020 3.795 -67.317 33.524 -99.200 -91.000 TRP 81 1.040 -1.310 -58.988 33.549 -99.200 -91.000 TRP6 81 1.020 -2.489 -60.289 31.957 -99.200 -91.000 PHE 87 1.000 6.177 -53.010 12.695 -99.200 -91.000 PHE 89 1.000 11.152 -54.224 6.386 -99.200 -91.000 TYR 93 0.840 14.658 -51.452 -3.479 -99.200 -91.000 TYR 99 0.840 12.526 -58.967 9.324 -99.200 -91.000