============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 33 0.840 21.297 -2.624 3.132 -99.200 -91.000 PHE 39 1.000 30.058 -6.209 2.005 -99.200 -91.000 HIS 62 0.900 42.645 -45.028 -4.883 -99.200 -91.000 TYR 78 0.840 42.080 -20.143 15.231 -99.200 -91.000 HIS 85 0.900 46.347 -34.226 13.524 -99.200 -91.000 TYR 102 0.840 37.338 -28.060 15.088 -99.200 -91.000 HIS 114 0.900 45.477 -31.687 -4.062 -99.200 -91.000 PHE 124 1.000 34.947 -25.695 -7.468 -99.200 -91.000 PHE 133 1.000 36.177 -17.406 -4.594 -99.200 -91.000 TRP 183 1.040 33.812 -32.036 5.864 -99.200 -91.000 TRP6 183 1.020 34.965 -31.970 3.796 -99.200 -91.000 TRP 202 1.040 14.271 -23.009 12.046 -99.200 -91.000 TRP6 202 1.020 14.209 -21.007 10.810 -99.200 -91.000 TYR 213 0.840 40.868 -1.747 7.463 -99.200 -91.000 TRP 223 1.040 18.648 -28.125 5.002 -99.200 -91.000 TRP6 223 1.020 20.944 -27.661 5.272 -99.200 -91.000 HIS 227 0.900 7.975 -22.348 6.395 -99.200 -91.000 TYR 235 0.840 30.510 -12.032 2.681 -99.200 -91.000 PHE 236 1.000 29.301 -4.529 10.568 -99.200 -91.000 HIS 259 0.900 9.069 -11.401 12.110 -99.200 -91.000 PHE 261 1.000 11.480 -16.493 4.956 -99.200 -91.000