============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. HIS 16 0.900 20.620 15.302 23.794 -99.200 -91.000 HIS 29 0.900 13.173 3.000 4.765 -99.200 -91.000 TYR 48 0.840 1.320 8.304 11.096 -99.200 -91.000 HIS 64 0.900 5.888 12.244 8.829 -99.200 -91.000 TRP 72 1.040 1.965 16.154 3.538 -99.200 -91.000 TRP6 72 1.020 0.582 16.361 1.617 -99.200 -91.000 PHE 82 1.000 -4.294 4.763 12.286 -99.200 -91.000 TYR 116 0.840 -2.266 21.874 12.473 -99.200 -91.000 TRP 128 1.040 18.976 31.239 4.934 -99.200 -91.000 TRP6 128 1.020 18.379 32.164 7.036 -99.200 -91.000 TYR 130 0.840 29.218 26.385 1.682 -99.200 -91.000 HIS 132 0.900 33.302 22.925 -0.453 -99.200 -91.000 TRP 138 1.040 23.087 18.575 -12.020 -99.200 -91.000 TRP6 138 1.020 23.846 20.776 -12.492 -99.200 -91.000 PHE 159 1.000 14.054 23.662 2.146 -99.200 -91.000 PHE 174 1.000 30.506 28.942 6.200 -99.200 -91.000 PHE 190 1.000 17.005 26.122 18.672 -99.200 -91.000 PHE 218 1.000 24.402 31.024 18.191 -99.200 -91.000 HIS 229 0.900 19.137 12.281 -2.153 -99.200 -91.000 PHE 241 1.000 15.420 34.073 12.232 -99.200 -91.000