============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 10 0.840 22.154 19.975 7.507 -99.200 -91.000 PHE 15 1.000 15.563 14.968 8.019 -99.200 -91.000 TYR 21 0.840 22.662 12.923 15.379 -99.200 -91.000 TRP 22 1.040 17.988 17.987 21.417 -99.200 -91.000 TRP6 22 1.020 15.778 18.533 22.000 -99.200 -91.000 TYR 34 0.840 7.963 20.879 13.768 -99.200 -91.000 PHE 42 1.000 4.228 13.402 17.281 -99.200 -91.000 TRP 43 1.040 -1.349 13.248 11.632 -99.200 -91.000 TRP6 43 1.020 -2.065 11.147 12.399 -99.200 -91.000 HIS 52 0.900 3.308 43.745 20.476 -99.200 -91.000 TYR 60 0.840 -2.165 29.121 10.367 -99.200 -91.000 PHE 63 1.000 0.384 16.954 9.654 -99.200 -91.000 PHE 69 1.000 -5.904 25.675 13.661 -99.200 -91.000 TRP 78 1.040 8.399 36.480 15.967 -99.200 -91.000 TRP6 78 1.020 7.272 35.905 13.975 -99.200 -91.000 PHE 80 1.000 8.275 30.433 16.896 -99.200 -91.000 PHE 81 1.000 0.214 30.001 19.708 -99.200 -91.000 PHE 84 1.000 -0.828 14.704 19.552 -99.200 -91.000 PHE 92 1.000 -4.065 19.175 13.237 -99.200 -91.000 TYR 110 0.840 16.899 8.796 23.922 -99.200 -91.000 TRP 115 1.040 12.489 13.264 24.201 -99.200 -91.000 TRP6 115 1.020 12.405 13.018 26.546 -99.200 -91.000 PHE 117 1.000 14.849 22.899 24.368 -99.200 -91.000 HIS 118 0.900 6.964 23.221 28.124 -99.200 -91.000 HIS 142 0.900 5.954 24.224 5.885 -99.200 -91.000 PHE 145 1.000 16.848 20.820 8.913 -99.200 -91.000 TYR 146 0.840 21.314 26.607 12.085 -99.200 -91.000 TYR 159 0.840 23.550 27.668 19.335 -99.200 -91.000