============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. HIS 7 0.900 12.447 -5.934 14.472 -99.200 -91.000 HIS 19 0.900 27.440 -2.567 9.370 -99.200 -91.000 HIS 21 0.900 31.941 -3.529 12.873 -99.200 -91.000 PHE 34 1.000 22.466 -6.054 8.140 -99.200 -91.000 PHE 57 1.000 23.787 -10.767 -3.497 -99.200 -91.000 HIS 69 0.900 27.991 -7.336 17.986 -99.200 -91.000 TYR 73 0.840 16.780 -14.355 16.232 -99.200 -91.000 HIS 88 0.900 19.967 -12.015 -10.058 -99.200 -91.000 PHE 92 1.000 22.594 -13.707 4.135 -99.200 -91.000 HIS 93 0.900 28.785 -20.479 2.143 -99.200 -91.000 PHE 117 1.000 20.880 -15.332 8.307 -99.200 -91.000 PHE 125 1.000 29.504 -18.102 9.565 -99.200 -91.000 TYR 127 0.840 26.321 -11.326 1.062 -99.200 -91.000 HIS 128 0.900 26.810 -18.967 -2.822 -99.200 -91.000 TRP 137 1.040 26.676 -16.681 -15.995 -99.200 -91.000 TRP6 137 1.020 24.493 -16.062 -16.700 -99.200 -91.000 HIS 138 0.900 22.508 -15.805 -11.477 -99.200 -91.000 HIS 164 0.900 42.296 -3.585 19.781 -99.200 -91.000 TYR 165 0.840 37.626 -5.455 13.951 -99.200 -91.000 TYR 169 0.840 40.939 -0.678 5.086 -99.200 -91.000 PHE 174 1.000 34.069 -10.978 -6.359 -99.200 -91.000 TYR 177 0.840 36.454 -19.085 -14.203 -99.200 -91.000 TYR 186 0.840 40.403 -11.604 -22.218 -99.200 -91.000 TYR 189 0.840 29.900 -12.477 -24.625 -99.200 -91.000 TYR 196 0.840 24.499 -20.226 -19.184 -99.200 -91.000 HIS 210 0.900 40.633 -10.616 -17.126 -99.200 -91.000 PHE 213 1.000 43.154 -9.093 -3.740 -99.200 -91.000 HIS 238 0.900 41.458 -12.330 0.303 -99.200 -91.000 HIS 248 0.900 53.217 -12.505 1.942 -99.200 -91.000 HIS 253 0.900 55.461 -11.332 9.667 -99.200 -91.000 TRP 256 1.040 46.761 -12.463 17.679 -99.200 -91.000 TRP6 256 1.020 47.408 -14.506 18.684 -99.200 -91.000 TRP 258 1.040 39.841 -16.561 14.554 -99.200 -91.000 TRP6 258 1.020 40.536 -14.347 15.081 -99.200 -91.000 PHE 263 1.000 35.609 -13.782 13.751 -99.200 -91.000 TRP 274 1.040 45.492 -14.983 5.727 -99.200 -91.000 TRP6 274 1.020 47.255 -13.428 6.051 -99.200 -91.000 PHE 275 1.000 44.034 -23.085 0.707 -99.200 -91.000 TYR 286 0.840 51.225 -6.530 10.271 -99.200 -91.000 PHE 288 1.000 49.626 -2.160 8.377 -99.200 -91.000 TYR 294 0.840 53.346 -2.586 5.271 -99.200 -91.000 TYR 296 0.840 45.148 -8.803 1.807 -99.200 -91.000 HIS 299 0.900 53.838 -15.194 -2.055 -99.200 -91.000 PHE 305 1.000 53.359 -8.972 -8.154 -99.200 -91.000 HIS 312 0.900 49.841 -1.186 -4.743 -99.200 -91.000 TRP 319 1.040 62.874 2.211 8.912 -99.200 -91.000 TRP6 319 1.020 61.763 0.721 7.442 -99.200 -91.000