============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 2 1.000 -1.249 46.741 -24.227 -99.200 -91.000 HIS 5 0.900 -0.126 39.848 -29.458 -99.200 -91.000 PHE 6 1.000 0.021 35.052 -23.930 -99.200 -91.000 HIS 8 0.900 5.650 28.265 -31.455 -99.200 -91.000 PHE 9 1.000 -3.986 32.167 -28.829 -99.200 -91.000 HIS 15 0.900 -2.220 22.967 -37.970 -99.200 -91.000 TRP 23 1.040 -10.104 12.604 -37.038 -99.200 -91.000 TRP6 23 1.020 -11.014 12.332 -34.870 -99.200 -91.000 PHE 38 1.000 -18.991 6.102 -28.004 -99.200 -91.000 TYR 60 0.840 -4.693 17.447 -17.007 -99.200 -91.000 PHE 64 1.000 -17.507 22.049 -16.978 -99.200 -91.000 HIS 76 0.900 -22.413 21.518 -7.363 -99.200 -91.000 TYR 91 0.840 -23.457 36.938 -16.797 -99.200 -91.000 TYR 97 0.840 -23.914 28.789 -8.346 -99.200 -91.000 PHE 98 1.000 -19.884 32.294 -6.896 -99.200 -91.000 PHE 105 1.000 -28.568 23.872 -2.293 -99.200 -91.000 PHE 111 1.000 -21.115 38.717 -4.034 -99.200 -91.000 TRP 132 1.040 -15.869 33.667 -10.154 -99.200 -91.000 TRP6 132 1.020 -16.072 31.503 -11.088 -99.200 -91.000 HIS 151 0.900 3.326 35.856 -6.166 -99.200 -91.000 HIS 154 0.900 -2.318 30.066 -5.311 -99.200 -91.000 HIS 156 0.900 0.299 31.825 5.533 -99.200 -91.000 PHE 167 1.000 -16.023 41.801 -20.193 -99.200 -91.000 TYR 171 0.840 -4.139 37.130 -30.029 -99.200 -91.000 PHE 172 1.000 -5.984 40.847 -27.204 -99.200 -91.000 TYR 185 0.840 -11.246 31.276 -21.308 -99.200 -91.000 TYR 190 0.840 -14.406 39.443 -26.769 -99.200 -91.000 HIS 194 0.900 -17.454 32.891 -35.466 -99.200 -91.000 HIS 210 0.900 -7.898 16.764 -15.647 -99.200 -91.000 PHE 215 1.000 -16.906 12.094 -8.763 -99.200 -91.000 TYR 230 0.840 -17.156 21.180 -36.887 -99.200 -91.000 HIS 240 0.900 -5.192 33.549 -35.699 -99.200 -91.000 HIS 246 0.900 -14.002 41.407 -31.284 -99.200 -91.000 PHE 247 1.000 -5.185 46.330 -28.336 -99.200 -91.000 PHE 256 1.000 -16.846 59.278 -31.499 -99.200 -91.000 TRP 262 1.040 -22.777 65.463 -27.294 -99.200 -91.000 TRP6 262 1.020 -23.473 67.562 -26.514 -99.200 -91.000 TYR 268 0.840 -10.395 49.679 -24.716 -99.200 -91.000 HIS 274 0.900 -8.775 50.587 -16.445 -99.200 -91.000 HIS 277 0.900 -2.862 52.047 -20.556 -99.200 -91.000 PHE 293 1.000 -20.929 55.451 -23.779 -99.200 -91.000 TYR 294 0.840 -20.173 55.452 -15.324 -99.200 -91.000 HIS 301 0.900 -29.983 63.474 -21.134 -99.200 -91.000 PHE 305 1.000 -25.203 55.749 -27.230 -99.200 -91.000 PHE 312 1.000 -21.542 50.123 -31.509 -99.200 -91.000 PHE 321 1.000 -20.926 37.032 -36.154 -99.200 -91.000 HIS 333 0.900 -23.871 43.122 -14.992 -99.200 -91.000 HIS 375 0.900 -26.367 64.688 -23.757 -99.200 -91.000