============================================================================= 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. HIS 1 0.900 -136.716 31.444 1.449 -99.200 -91.000 TYR 27 0.840 -97.828 45.549 -29.597 -99.200 -91.000 TYR 46 0.840 -117.677 55.579 -19.449 -99.200 -91.000 TYR 55 0.840 -117.488 33.542 -25.665 -99.200 -91.000 TRP 57 1.040 -118.385 42.571 -25.512 -99.200 -91.000 TRP6 57 1.020 -119.619 44.484 -26.108 -99.200 -91.000 HIS 61 0.900 -108.123 38.318 -19.091 -99.200 -91.000 PHE 102 1.000 -128.444 45.500 -6.306 -99.200 -91.000 HIS 107 0.900 -109.998 39.408 -13.765 -99.200 -91.000 HIS 112 0.900 -109.427 45.662 -11.183 -99.200 -91.000 HIS 116 0.900 -126.245 47.289 -13.492 -99.200 -91.000 PHE 117 1.000 -122.277 51.822 -8.803 -99.200 -91.000 TRP 136 1.040 -125.256 39.291 5.048 -99.200 -91.000 TRP6 136 1.020 -127.389 39.227 4.062 -99.200 -91.000 HIS 145 0.900 -129.942 20.009 1.089 -99.200 -91.000 PHE 158 1.000 -128.203 29.741 -2.258 -99.200 -91.000 HIS 171 0.900 -133.869 18.721 -8.828 -99.200 -91.000 HIS 181 0.900 -112.615 18.830 -22.157 -99.200 -91.000 TYR 197 0.840 -112.270 27.432 -11.909 -99.200 -91.000 HIS 223 0.900 -112.429 21.878 -12.562 -99.200 -91.000 TYR 227 0.840 -111.988 23.110 2.239 -99.200 -91.000 TYR 232 0.840 -111.103 15.009 -13.334 -99.200 -91.000 HIS 244 0.900 -112.848 37.524 -17.108 -99.200 -91.000 HIS 252 0.900 -105.548 34.156 -19.119 -99.200 -91.000 TYR 280 0.840 -132.956 36.172 -10.893 -99.200 -91.000