============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 3 0.840 30.056 2.608 32.816 -99.200 -91.000 TYR 7 0.840 14.109 1.664 29.531 -99.200 -91.000 PHE 8 1.000 9.367 3.508 32.435 -99.200 -91.000 TRP 28 1.040 24.308 -2.735 33.199 -99.200 -91.000 TRP6 28 1.020 25.147 -4.461 31.819 -99.200 -91.000 TRP 38 1.040 6.933 7.169 34.543 -99.200 -91.000 TRP6 38 1.020 9.085 8.142 34.673 -99.200 -91.000 TYR 49 0.840 15.802 16.609 27.566 -99.200 -91.000 PHE 55 1.000 25.026 4.930 31.709 -99.200 -91.000 TYR 63 0.840 17.911 12.517 33.241 -99.200 -91.000 HIS 71 0.900 29.848 9.171 29.167 -99.200 -91.000 TYR 79 0.840 31.238 8.984 18.548 -99.200 -91.000 TYR 103 0.840 9.865 -1.782 16.932 -99.200 -91.000 TYR 108 0.840 5.397 1.602 23.166 -99.200 -91.000 TYR 111 0.840 1.534 -4.981 16.336 -99.200 -91.000 TYR 118 0.840 7.433 -0.281 10.657 -99.200 -91.000 PHE 129 1.000 20.219 1.429 8.700 -99.200 -91.000 PHE 142 1.000 33.351 -5.043 13.876 -99.200 -91.000 PHE 150 1.000 27.710 5.882 18.802 -99.200 -91.000 TYR 153 0.840 28.151 -3.093 20.852 -99.200 -91.000 HIS 162 0.900 12.525 -2.834 12.588 -99.200 -91.000 PHE 173 1.000 17.176 -5.524 2.632 -99.200 -91.000 TYR 179 0.840 26.070 -5.563 11.320 -99.200 -91.000 PHE 192 1.000 22.799 -8.407 27.916 -99.200 -91.000 TYR 198 0.840 18.233 -9.420 24.836 -99.200 -91.000