============================================================================= 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 9 0.840 -29.253 99.271 -20.387 -99.200 -91.000 TYR 23 0.840 -21.161 90.470 -0.653 -99.200 -91.000 TYR 40 0.840 -13.349 95.735 -9.884 -99.200 -91.000 TRP 43 1.040 -10.647 103.030 -13.541 -99.200 -91.000 TRP6 43 1.020 -9.078 101.269 -13.387 -99.200 -91.000 HIS 44 0.900 -16.495 98.308 -12.122 -99.200 -91.000 TYR 47 0.840 -19.500 101.941 -18.211 -99.200 -91.000 PHE 54 1.000 -22.334 110.052 -23.336 -99.200 -91.000 PHE 59 1.000 -28.561 107.086 -12.924 -99.200 -91.000 PHE 70 1.000 -32.537 89.131 -4.054 -99.200 -91.000 TYR 75 0.840 -22.275 85.685 -0.132 -99.200 -91.000 TYR 78 0.840 -16.892 86.945 -3.808 -99.200 -91.000 PHE 91 1.000 -4.132 80.910 -21.576 -99.200 -91.000 PHE 118 1.000 -1.826 89.628 -15.932 -99.200 -91.000 HIS 120 0.900 5.051 92.329 -23.151 -99.200 -91.000 TYR 123 0.840 -10.492 92.609 -22.449 -99.200 -91.000 TYR 128 0.840 -26.611 92.345 -31.122 -99.200 -91.000 PHE 161 1.000 -10.397 97.488 -34.885 -99.200 -91.000 TYR 168 0.840 -10.776 98.341 -24.812 -99.200 -91.000 TYR 205 0.840 -29.280 86.659 -22.816 -99.200 -91.000 HIS 207 0.900 -32.800 81.075 -31.953 -99.200 -91.000 PHE 222 1.000 -8.206 83.167 -32.209 -99.200 -91.000 HIS 224 0.900 -1.419 77.832 -25.658 -99.200 -91.000 TRP 227 1.040 -15.451 79.917 -25.098 -99.200 -91.000 TRP6 227 1.020 -15.693 80.072 -27.423 -99.200 -91.000 TYR 230 0.840 -21.850 83.006 -14.692 -99.200 -91.000 PHE 242 1.000 -32.795 78.574 -12.184 -99.200 -91.000 TYR 264 0.840 -26.540 72.744 -25.210 -99.200 -91.000 TYR 270 0.840 -22.707 75.992 -20.949 -99.200 -91.000 TRP 274 1.040 -16.599 75.420 -25.560 -99.200 -91.000 TRP6 274 1.020 -18.655 75.949 -24.523 -99.200 -91.000 TRP 286 1.040 -23.176 74.544 -3.048 -99.200 -91.000 TRP6 286 1.020 -23.550 76.318 -1.537 -99.200 -91.000 PHE 289 1.000 -19.786 79.686 -0.692 -99.200 -91.000 PHE 306 1.000 -26.012 86.239 8.604 -99.200 -91.000 HIS 319 0.900 -30.983 75.458 -10.785 -99.200 -91.000 TYR 320 0.840 -27.163 81.652 -12.857 -99.200 -91.000 TRP 327 1.040 -8.010 75.700 -28.936 -99.200 -91.000 TRP6 327 1.020 -9.532 77.077 -27.752 -99.200 -91.000 HIS 328 0.900 -0.217 74.726 -27.901 -99.200 -91.000 HIS 329 0.900 -6.653 73.668 -32.962 -99.200 -91.000