============================================================================= 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 10 0.840 -7.187 -29.819 91.068 -99.200 -91.000 TYR 16 0.840 8.911 -29.902 109.380 -99.200 -91.000 TYR 21 0.840 13.225 -30.885 107.331 -99.200 -91.000 TRP 23 1.040 16.424 -27.574 103.531 -99.200 -91.000 TRP6 23 1.020 17.700 -27.214 101.568 -99.200 -91.000 PHE 51 1.000 8.911 -30.952 92.302 -99.200 -91.000 TYR 58 0.840 16.846 -31.196 98.689 -99.200 -91.000 HIS 62 0.900 11.132 -22.835 89.470 -99.200 -91.000 PHE 69 1.000 5.997 -30.849 81.008 -99.200 -91.000 HIS 94 0.900 9.003 -34.215 69.440 -99.200 -91.000 HIS 99 0.900 12.850 -27.248 81.689 -99.200 -91.000 TYR 101 0.840 11.298 -28.864 87.671 -99.200 -91.000 PHE 106 1.000 1.562 -33.072 83.211 -99.200 -91.000 PHE 110 1.000 0.545 -39.510 81.474 -99.200 -91.000 TRP 111 1.040 4.636 -45.373 85.840 -99.200 -91.000 TRP6 111 1.020 5.125 -47.652 85.442 -99.200 -91.000 TRP 123 1.040 2.539 -53.556 95.282 -99.200 -91.000 TRP6 123 1.020 2.373 -55.883 94.857 -99.200 -91.000 TYR 137 0.840 15.059 -41.024 106.399 -99.200 -91.000 HIS 155 0.900 11.873 -41.488 116.675 -99.200 -91.000 TYR 160 0.840 10.257 -45.231 113.026 -99.200 -91.000 PHE 163 1.000 17.308 -43.809 115.208 -99.200 -91.000 TRP 171 1.040 34.026 -26.306 109.506 -99.200 -91.000 TRP6 171 1.020 35.861 -27.104 110.766 -99.200 -91.000 TRP 199 1.040 29.543 -29.806 106.282 -99.200 -91.000 TRP6 199 1.020 29.310 -32.134 106.605 -99.200 -91.000 TYR 216 0.840 30.221 -40.126 109.969 -99.200 -91.000 TYR 225 0.840 30.673 -38.409 91.020 -99.200 -91.000 HIS 249 0.900 26.054 -38.312 81.611 -99.200 -91.000 PHE 282 1.000 23.438 -48.353 85.395 -99.200 -91.000 TRP 296 1.040 8.158 -31.507 102.201 -99.200 -91.000 TRP6 296 1.020 9.606 -32.176 103.947 -99.200 -91.000 HIS 307 0.900 1.964 -48.556 94.730 -99.200 -91.000 PHE 308 1.000 11.978 -45.697 92.908 -99.200 -91.000 PHE 316 1.000 21.763 -55.639 96.100 -99.200 -91.000 TYR 326 0.840 9.137 -36.316 107.547 -99.200 -91.000 HIS 339 0.900 1.830 -52.741 112.231 -99.200 -91.000 TYR 344 0.840 4.114 -52.843 105.971 -99.200 -91.000 PHE 357 1.000 -10.570 -34.034 92.701 -99.200 -91.000 TRP 367 1.040 -4.270 -26.821 79.520 -99.200 -91.000 TRP6 367 1.020 -3.178 -27.018 81.612 -99.200 -91.000