============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. PHE 6 1.000 37.986 -19.816 62.413 -99.200 -91.000 PHE 7 1.000 32.164 -20.114 56.507 -99.200 -91.000 TYR 18 0.840 27.842 -18.769 69.919 -99.200 -91.000 TYR 23 0.840 31.101 -7.266 61.621 -99.200 -91.000 TYR 24 0.840 29.620 -3.400 51.968 -99.200 -91.000 HIS 37 0.900 42.930 -15.648 56.547 -99.200 -91.000 PHE 38 1.000 35.254 -9.445 59.566 -99.200 -91.000 PHE 45 1.000 38.771 -24.898 63.577 -99.200 -91.000 HIS 49 0.900 37.181 -19.333 74.915 -99.200 -91.000 TYR 56 0.840 29.202 -16.733 52.289 -99.200 -91.000 TYR 67 0.840 34.450 3.870 51.241 -99.200 -91.000 HIS 71 0.900 44.054 -3.614 48.600 -99.200 -91.000 HIS 78 0.900 33.501 -11.861 44.516 -99.200 -91.000 HIS 86 0.900 32.845 -11.913 68.583 -99.200 -91.000 HIS 88 0.900 26.834 -13.921 75.979 -99.200 -91.000 PHE 91 1.000 31.759 -9.822 73.592 -99.200 -91.000 TYR 108 0.840 36.647 -1.126 61.786 -99.200 -91.000 PHE 109 1.000 44.330 -1.715 61.516 -99.200 -91.000 HIS 122 0.900 20.023 -8.137 65.134 -99.200 -91.000 PHE 123 1.000 23.514 -5.867 72.458 -99.200 -91.000 TYR 127 0.840 26.236 -9.052 76.234 -99.200 -91.000 PHE 131 1.000 25.061 -4.908 79.184 -99.200 -91.000 PHE 136 1.000 14.315 8.676 86.222 -99.200 -91.000 HIS 148 0.900 0.999 10.740 80.603 -99.200 -91.000 PHE 153 1.000 5.344 19.619 71.136 -99.200 -91.000 PHE 154 1.000 13.813 17.031 74.133 -99.200 -91.000 PHE 166 1.000 20.720 29.090 78.570 -99.200 -91.000 TYR 171 0.840 8.834 32.925 83.617 -99.200 -91.000 TRP 174 1.040 10.677 25.387 80.588 -99.200 -91.000 TRP6 174 1.020 12.346 26.199 82.059 -99.200 -91.000 TRP 192 1.040 30.285 32.239 79.040 -99.200 -91.000 TRP6 192 1.020 31.950 30.853 78.077 -99.200 -91.000 HIS 201 0.900 20.613 33.638 87.971 -99.200 -91.000 TYR 219 0.840 18.684 23.968 83.591 -99.200 -91.000 HIS 234 0.900 22.983 13.337 89.994 -99.200 -91.000 TYR 263 0.840 25.813 9.730 91.793 -99.200 -91.000 HIS 271 0.900 22.978 17.125 71.246 -99.200 -91.000 PHE 272 1.000 23.426 15.017 66.668 -99.200 -91.000 PHE 274 1.000 34.919 10.773 68.154 -99.200 -91.000 PHE 278 1.000 31.532 6.148 65.469 -99.200 -91.000 TYR 284 0.840 36.401 1.811 57.069 -99.200 -91.000 HIS 287 0.900 23.049 2.069 60.072 -99.200 -91.000 PHE 308 1.000 12.362 11.680 60.114 -99.200 -91.000 TYR 353 0.840 1.138 12.041 64.634 -99.200 -91.000 PHE 361 1.000 7.473 12.964 67.031 -99.200 -91.000 PHE 363 1.000 8.862 19.427 65.763 -99.200 -91.000 PHE 370 1.000 14.270 29.112 72.518 -99.200 -91.000 HIS 372 0.900 6.340 33.454 66.515 -99.200 -91.000 TRP 387 1.040 0.010 17.546 69.662 -99.200 -91.000 TRP6 387 1.020 0.591 15.812 68.157 -99.200 -91.000 TRP 399 1.040 -5.245 25.281 65.259 -99.200 -91.000 TRP6 399 1.020 -7.482 24.747 65.789 -99.200 -91.000 HIS 403 0.900 -5.874 28.765 67.064 -99.200 -91.000