============================================================================= 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. PHE 5 1.000 -10.564 -1.700 33.549 -99.200 -91.000 HIS 15 0.900 1.261 -13.094 30.107 -99.200 -91.000 HIS 61 0.900 11.205 6.674 30.603 -99.200 -91.000 PHE 68 1.000 19.319 0.176 38.362 -99.200 -91.000 HIS 83 0.900 1.500 1.358 49.217 -99.200 -91.000 PHE 85 1.000 3.306 0.205 42.916 -99.200 -91.000 PHE 88 1.000 5.271 0.345 30.518 -99.200 -91.000 PHE 93 1.000 13.875 -4.166 26.231 -99.200 -91.000 TYR 104 0.840 12.696 -8.554 29.211 -99.200 -91.000 PHE 109 1.000 19.797 0.702 33.431 -99.200 -91.000 TRP 114 1.040 14.459 -4.283 37.732 -99.200 -91.000 TRP6 114 1.020 13.327 -2.500 36.669 -99.200 -91.000 HIS 121 0.900 9.498 2.573 19.745 -99.200 -91.000 HIS 140 0.900 7.460 -17.583 35.792 -99.200 -91.000 TYR 160 0.840 5.323 1.561 13.340 -99.200 -91.000 HIS 171 0.900 5.129 -12.981 17.916 -99.200 -91.000 PHE 174 1.000 7.519 -11.143 26.538 -99.200 -91.000 PHE 178 1.000 -1.973 -3.936 20.966 -99.200 -91.000 PHE 190 1.000 -3.757 -9.085 22.559 -99.200 -91.000 HIS 192 0.900 -6.432 -1.518 23.461 -99.200 -91.000 TYR 210 0.840 0.692 16.607 28.162 -99.200 -91.000 TYR 244 0.840 -4.272 13.815 35.769 -99.200 -91.000 TRP 249 1.040 -13.499 3.160 38.742 -99.200 -91.000 TRP6 249 1.020 -12.341 1.177 38.132 -99.200 -91.000 TYR 252 0.840 -13.893 0.182 33.697 -99.200 -91.000