============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TYR 4 0.840 2.985 8.600 13.448 -99.200 -91.000 PHE 19 1.000 -2.089 5.936 23.681 -99.200 -91.000 PHE 20 1.000 0.996 11.801 21.859 -99.200 -91.000 TRP 47 1.040 4.816 3.631 27.537 -99.200 -91.000 TRP6 47 1.020 2.562 4.115 28.120 -99.200 -91.000 TYR 54 0.840 14.766 10.584 26.474 -99.200 -91.000 HIS 56 0.900 23.207 11.167 33.858 -99.200 -91.000 PHE 94 1.000 15.542 -8.326 48.069 -99.200 -91.000 HIS 100 0.900 16.536 -13.221 48.353 -99.200 -91.000 TRP 103 1.040 16.893 -15.401 34.612 -99.200 -91.000 TRP6 103 1.020 15.587 -13.844 33.391 -99.200 -91.000 PHE 104 1.000 22.254 -9.378 35.583 -99.200 -91.000 HIS 106 0.900 17.308 -10.010 25.841 -99.200 -91.000 TYR 116 0.840 3.733 -19.559 36.725 -99.200 -91.000 PHE 131 1.000 -3.320 -7.849 44.386 -99.200 -91.000 TYR 135 0.840 1.787 -4.747 30.817 -99.200 -91.000 HIS 136 0.900 2.144 -9.083 37.297 -99.200 -91.000 PHE 145 1.000 -1.065 -19.153 35.806 -99.200 -91.000 TYR 153 0.840 -3.105 -2.542 43.581 -99.200 -91.000 TYR 157 0.840 -11.336 8.466 42.551 -99.200 -91.000 TYR 160 0.840 -14.282 -7.133 46.342 -99.200 -91.000 PHE 189 1.000 4.386 -13.432 39.501 -99.200 -91.000 PHE 206 1.000 -4.556 -5.442 50.221 -99.200 -91.000 PHE 210 1.000 -1.430 -10.338 48.652 -99.200 -91.000 HIS 217 0.900 -2.732 -19.457 53.967 -99.200 -91.000 HIS 237 0.900 15.203 -2.044 46.002 -99.200 -91.000 PHE 239 1.000 11.532 -3.972 49.127 -99.200 -91.000 HIS 241 0.900 7.699 4.727 49.545 -99.200 -91.000 PHE 244 1.000 5.568 -6.015 50.636 -99.200 -91.000 PHE 277 1.000 13.318 -23.935 33.950 -99.200 -91.000 HIS 283 0.900 17.916 -13.541 28.950 -99.200 -91.000 HIS 326 0.900 -8.495 23.248 33.982 -99.200 -91.000 TYR 362 0.840 -4.271 14.496 18.346 -99.200 -91.000 TYR 365 0.840 2.251 15.416 19.130 -99.200 -91.000 TYR 372 0.840 2.443 8.283 25.589 -99.200 -91.000 TYR 373 0.840 -5.825 7.077 27.086 -99.200 -91.000 PHE 383 1.000 0.815 13.667 35.125 -99.200 -91.000 HIS 395 0.900 7.247 24.972 39.254 -99.200 -91.000 PHE 405 1.000 -6.805 18.858 32.675 -99.200 -91.000 PHE 419 1.000 -2.525 9.484 15.440 -99.200 -91.000 TRP 422 1.040 -4.160 2.045 26.269 -99.200 -91.000 TRP6 422 1.020 -2.352 0.806 27.159 -99.200 -91.000