============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 1 0.900 3.526 -37.864 61.775 -99.200 -91.000 TYR 5 0.840 5.179 -32.545 45.091 -99.200 -91.000 TRP 7 1.040 4.195 -31.608 38.316 -99.200 -91.000 TRP6 7 1.020 3.721 -29.303 38.092 -99.200 -91.000 TYR 11 0.840 -1.839 -30.190 38.747 -99.200 -91.000 TRP 13 1.040 2.043 -30.221 29.376 -99.200 -91.000 TRP6 13 1.020 1.475 -31.809 27.719 -99.200 -91.000 HIS 35 0.900 8.457 -18.100 29.544 -99.200 -91.000 HIS 36 0.900 -0.479 -14.389 30.842 -99.200 -91.000 HIS 39 0.900 5.082 -20.201 30.426 -99.200 -91.000 PHE 46 1.000 6.697 -25.381 45.118 -99.200 -91.000 HIS 47 0.900 7.274 -31.845 39.806 -99.200 -91.000 HIS 58 0.900 13.769 -36.975 52.573 -99.200 -91.000 HIS 76 0.900 -16.427 -22.794 41.940 -99.200 -91.000 HIS 80 0.900 -17.361 -21.224 37.316 -99.200 -91.000 TYR 134 0.840 2.578 -26.663 48.444 -99.200 -91.000 HIS 142 0.900 -6.307 -16.220 45.724 -99.200 -91.000 HIS 143 0.900 -7.881 -13.641 42.772 -99.200 -91.000 HIS 146 0.900 -22.055 -21.204 44.480 -99.200 -91.000 PHE 152 1.000 -3.687 -14.640 35.808 -99.200 -91.000 PHE 155 1.000 -14.232 -25.841 37.696 -99.200 -91.000 TYR 164 0.840 -13.719 -35.577 49.297 -99.200 -91.000 TRP 179 1.040 0.917 -18.519 52.523 -99.200 -91.000 TRP6 179 1.020 1.153 -19.973 54.375 -99.200 -91.000 HIS 182 0.900 -2.136 -11.052 43.669 -99.200 -91.000 HIS 183 0.900 -10.558 -10.493 49.249 -99.200 -91.000 TRP 191 1.040 -15.973 -21.867 51.452 -99.200 -91.000 TRP6 191 1.020 -17.329 -23.807 51.504 -99.200 -91.000 TRP 192 1.040 -21.098 -12.859 52.368 -99.200 -91.000 TRP6 192 1.020 -19.223 -11.519 52.880 -99.200 -91.000 HIS 203 0.900 -6.635 -9.421 51.546 -99.200 -91.000 HIS 205 0.900 -6.933 -2.069 51.624 -99.200 -91.000 PHE 208 1.000 -7.384 -9.342 40.102 -99.200 -91.000 TYR 214 0.840 -11.996 -1.789 51.166 -99.200 -91.000 HIS 224 0.900 -20.903 -10.327 61.058 -99.200 -91.000 TYR 226 0.840 -18.052 -18.177 62.495 -99.200 -91.000 TYR 241 0.840 2.449 -11.319 54.309 -99.200 -91.000 HIS 243 0.900 2.205 -7.961 65.304 -99.200 -91.000 TYR 256 0.840 -14.000 -22.379 62.045 -99.200 -91.000 PHE 267 1.000 4.935 -20.531 48.096 -99.200 -91.000 PHE 285 1.000 6.128 -16.719 50.936 -99.200 -91.000 PHE 306 1.000 1.055 -25.810 53.967 -99.200 -91.000 TYR 312 0.840 1.545 -14.700 39.484 -99.200 -91.000 HIS 315 0.900 13.902 -14.725 37.881 -99.200 -91.000 TYR 316 0.840 13.086 -15.650 47.097 -99.200 -91.000 PHE 319 1.000 16.120 -21.746 45.303 -99.200 -91.000 TYR 338 0.840 17.558 -15.997 44.113 -99.200 -91.000 HIS 339 0.900 18.891 -15.173 54.608 -99.200 -91.000 PHE 341 1.000 19.457 -9.025 45.255 -99.200 -91.000