============================================================================= 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 4 0.840 29.304 2.468 32.754 -99.200 -91.000 TYR 8 0.840 13.502 1.412 29.347 -99.200 -91.000 PHE 9 1.000 9.014 3.208 31.699 -99.200 -91.000 TRP 29 1.040 23.706 -2.899 33.081 -99.200 -91.000 TRP6 29 1.020 24.652 -4.525 31.628 -99.200 -91.000 TRP 39 1.040 6.338 6.770 33.734 -99.200 -91.000 TRP6 39 1.020 8.403 7.892 33.987 -99.200 -91.000 TYR 50 0.840 15.309 16.628 27.360 -99.200 -91.000 PHE 56 1.000 24.392 4.683 31.522 -99.200 -91.000 TYR 64 0.840 17.229 12.274 32.860 -99.200 -91.000 HIS 72 0.900 29.187 9.032 28.865 -99.200 -91.000 TYR 80 0.840 30.704 8.912 18.420 -99.200 -91.000 TYR 104 0.840 9.493 -2.038 16.701 -99.200 -91.000 TYR 109 0.840 5.001 1.399 22.933 -99.200 -91.000 TYR 112 0.840 1.241 -5.280 16.039 -99.200 -91.000 TYR 119 0.840 7.098 -0.651 10.410 -99.200 -91.000 PHE 130 1.000 19.801 1.361 8.492 -99.200 -91.000 PHE 143 1.000 32.955 -5.095 13.757 -99.200 -91.000 PHE 151 1.000 27.181 5.757 18.685 -99.200 -91.000 TYR 154 0.840 27.658 -3.262 20.704 -99.200 -91.000 HIS 163 0.900 12.208 -3.110 12.394 -99.200 -91.000 PHE 174 1.000 16.798 -5.738 2.460 -99.200 -91.000 TYR 180 0.840 25.705 -5.651 11.228 -99.200 -91.000 PHE 193 1.000 22.355 -8.551 27.769 -99.200 -91.000 TYR 199 0.840 17.798 -9.623 24.620 -99.200 -91.000