============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 72 rings ring int. center anis. iso. PHE 3 1.000 26.718 -15.990 41.649 -99.200 -91.000 PHE 6 1.000 12.919 -15.700 41.360 -99.200 -91.000 PHE 17 1.000 13.064 -24.444 31.005 -99.200 -91.000 TYR 43 0.840 29.127 -17.666 -11.067 -99.200 -91.000 PHE 52 1.000 26.331 -14.446 -6.462 -99.200 -91.000 TRP 58 1.040 29.435 -23.277 6.538 -99.200 -91.000 TRP6 58 1.020 27.128 -23.222 7.057 -99.200 -91.000 TRP 66 1.040 22.880 -30.606 13.343 -99.200 -91.000 TRP6 66 1.020 21.380 -29.224 12.153 -99.200 -91.000 PHE 70 1.000 24.826 -30.403 18.053 -99.200 -91.000 TRP 72 1.040 20.214 -30.817 23.280 -99.200 -91.000 TRP6 72 1.020 20.027 -28.612 22.447 -99.200 -91.000 PHE 75 1.000 23.821 -25.246 23.377 -99.200 -91.000 PHE 82 1.000 26.258 -19.380 33.629 -99.200 -91.000 PHE 85 1.000 15.330 -18.965 38.705 -99.200 -91.000 HIS 95 0.900 14.787 -19.632 29.405 -99.200 -91.000 PHE 96 1.000 13.386 -15.309 35.093 -99.200 -91.000 PHE 100 1.000 17.434 -13.306 40.087 -99.200 -91.000 HIS 113 0.900 16.767 -13.146 22.599 -99.200 -91.000 TRP 115 1.040 15.678 -14.410 13.789 -99.200 -91.000 TRP6 115 1.020 17.066 -14.461 11.870 -99.200 -91.000 PHE 119 1.000 18.651 -19.387 27.260 -99.200 -91.000 PHE 122 1.000 22.959 -10.699 26.359 -99.200 -91.000 TYR 123 0.840 23.783 -19.650 29.633 -99.200 -91.000 PHE 129 1.000 29.004 -9.136 35.297 -99.200 -91.000 TYR 133 0.840 31.938 -8.859 40.725 -99.200 -91.000 PHE 140 1.000 26.880 -4.261 37.690 -99.200 -91.000 HIS 141 0.900 19.731 -8.493 42.182 -99.200 -91.000 TYR 150 0.840 13.618 -14.225 19.635 -99.200 -91.000 PHE 152 1.000 14.779 -23.992 26.181 -99.200 -91.000 PHE 162 1.000 3.318 -9.991 22.325 -99.200 -91.000 PHE 180 1.000 15.401 -6.914 39.967 -99.200 -91.000 TYR 184 0.840 13.500 -2.097 34.209 -99.200 -91.000 PHE 194 1.000 12.062 0.468 17.858 -99.200 -91.000 PHE 203 1.000 7.177 0.089 29.081 -99.200 -91.000 HIS 210 0.900 26.054 -0.532 26.734 -99.200 -91.000 PHE 213 1.000 21.517 -3.385 15.240 -99.200 -91.000 PHE 242 1.000 22.142 -5.744 7.516 -99.200 -91.000 TYR 247 0.840 16.668 -4.700 6.334 -99.200 -91.000 TYR 249 0.840 18.016 -10.675 7.607 -99.200 -91.000 HIS 253 0.900 13.418 -13.127 9.174 -99.200 -91.000 HIS 262 0.900 3.521 -23.134 7.814 -99.200 -91.000 TRP 274 1.040 16.321 -17.296 6.857 -99.200 -91.000 TRP6 274 1.020 15.530 -16.616 4.732 -99.200 -91.000 TYR 279 0.840 24.402 -17.611 14.849 -99.200 -91.000 TRP 282 1.040 24.504 -10.736 9.716 -99.200 -91.000 TRP6 282 1.020 22.434 -10.852 10.857 -99.200 -91.000 TYR 299 0.840 16.634 -19.127 16.901 -99.200 -91.000 TRP 300 1.040 14.612 -29.188 14.427 -99.200 -91.000 TRP6 300 1.020 13.579 -28.830 12.330 -99.200 -91.000 PHE 305 1.000 12.467 -18.052 10.589 -99.200 -91.000 HIS 310 0.900 6.803 -11.609 18.015 -99.200 -91.000 TYR 312 0.840 13.153 -9.792 11.756 -99.200 -91.000 TRP 315 1.040 14.149 -3.944 14.635 -99.200 -91.000 TRP6 315 1.020 1