============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TYR 26 0.840 -11.676 -2.515 24.601 -99.200 -91.000 TYR 35 0.840 -0.603 14.533 24.501 -99.200 -91.000 PHE 54 1.000 -17.423 2.136 13.288 -99.200 -91.000 HIS 59 0.900 -0.751 0.518 17.163 -99.200 -91.000 TYR 69 0.840 -12.874 1.838 39.587 -99.200 -91.000 HIS 70 0.900 -8.561 0.161 45.479 -99.200 -91.000 PHE 72 1.000 -5.362 3.195 37.217 -99.200 -91.000 PHE 99 1.000 7.057 -15.154 24.650 -99.200 -91.000 PHE 105 1.000 -2.386 -12.205 18.973 -99.200 -91.000 HIS 111 0.900 -7.616 -10.122 13.892 -99.200 -91.000 PHE 116 1.000 -6.708 1.588 23.079 -99.200 -91.000 TRP 120 1.040 -15.812 9.871 25.687 -99.200 -91.000 TRP6 120 1.020 -17.305 8.109 26.117 -99.200 -91.000 TRP 121 1.040 -9.966 3.328 26.247 -99.200 -91.000 TRP6 121 1.020 -8.334 5.020 25.936 -99.200 -91.000 TYR 122 0.840 -17.086 4.183 29.937 -99.200 -91.000 TYR 127 0.840 -6.429 -5.945 29.829 -99.200 -91.000 TRP 165 1.040 26.835 -13.131 25.319 -99.200 -91.000 TRP6 165 1.020 25.271 -11.366 25.062 -99.200 -91.000 PHE 189 1.000 15.252 -3.468 18.875 -99.200 -91.000 PHE 193 1.000 20.520 -4.171 22.273 -99.200 -91.000 TYR 196 0.840 18.776 -2.502 29.077 -99.200 -91.000 TRP 201 1.040 29.895 -0.052 14.612 -99.200 -91.000 TRP6 201 1.020 30.811 -0.747 16.683 -99.200 -91.000 TYR 223 0.840 24.749 5.903 9.724 -99.200 -91.000 TYR 224 0.840 29.300 -0.280 6.895 -99.200 -91.000 TYR 230 0.840 25.545 -4.467 6.293 -99.200 -91.000 PHE 240 1.000 28.724 -5.371 14.436 -99.200 -91.000 PHE 270 1.000 10.807 -4.843 17.005 -99.200 -91.000 PHE 272 1.000 5.913 -7.555 12.272 -99.200 -91.000 TYR 282 0.840 27.625 -27.045 1.615 -99.200 -91.000 HIS 290 0.900 31.200 -26.948 12.888 -99.200 -91.000 HIS 305 0.900 7.884 -6.921 28.318 -99.200 -91.000 PHE 306 1.000 2.488 -0.984 26.708 -99.200 -91.000 HIS 312 0.900 15.099 1.364 30.369 -99.200 -91.000 TRP 316 1.040 16.662 6.779 27.262 -99.200 -91.000 TRP6 316 1.020 15.223 5.765 25.679 -99.200 -91.000 TYR 320 0.840 21.671 8.393 26.209 -99.200 -91.000 HIS 349 0.900 14.647 10.545 4.444 -99.200 -91.000 TRP 358 1.040 -7.548 12.615 20.265 -99.200 -91.000 TRP6 358 1.020 -9.608 12.091 19.230 -99.200 -91.000