============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 12 0.840 57.412 11.908 17.388 -99.200 -91.000 HIS 14 0.900 59.125 6.941 8.455 -99.200 -91.000 TRP 23 1.040 49.033 0.707 20.433 -99.200 -91.000 TRP6 23 1.020 50.444 -1.106 19.855 -99.200 -91.000 HIS 27 0.900 46.966 -2.553 20.937 -99.200 -91.000 TYR 45 0.840 64.039 -11.050 29.866 -99.200 -91.000 HIS 49 0.900 61.178 -10.512 31.975 -99.200 -91.000 TRP 58 1.040 74.313 -4.375 19.291 -99.200 -91.000 TRP6 58 1.020 76.664 -4.158 19.521 -99.200 -91.000 HIS 59 0.900 79.716 -9.244 22.982 -99.200 -91.000 TYR 70 0.840 75.923 -5.329 13.845 -99.200 -91.000 PHE 76 1.000 67.106 -11.044 12.640 -99.200 -91.000 TYR 94 0.840 61.201 -3.566 27.521 -99.200 -91.000 TRP 100 1.040 71.861 5.764 24.806 -99.200 -91.000 TRP6 100 1.020 73.702 5.744 26.299 -99.200 -91.000 TRP 101 1.040 73.156 -0.500 24.737 -99.200 -91.000 TRP6 101 1.020 74.962 -1.203 23.396 -99.200 -91.000 TYR 104 0.840 74.268 -0.537 17.770 -99.200 -91.000 TRP 107 1.040 71.320 0.644 12.119 -99.200 -91.000 TRP6 107 1.020 73.273 -0.683 12.223 -99.200 -91.000 PHE 109 1.000 64.577 -7.591 15.649 -99.200 -91.000 PHE 112 1.000 70.216 -9.894 10.115 -99.200 -91.000 HIS 114 0.900 60.358 -8.548 11.954 -99.200 -91.000 TRP 127 1.040 56.742 -1.378 32.170 -99.200 -91.000 TRP6 127 1.020 55.004 -1.423 30.565 -99.200 -91.000 TYR 146 0.840 62.426 -13.746 10.706 -99.200 -91.000 PHE 159 1.000 80.301 -1.738 6.145 -99.200 -91.000 TYR 181 0.840 82.900 17.761 18.233 -99.200 -91.000 HIS 187 0.900 83.140 4.573 27.145 -99.200 -91.000 TYR 191 0.840 79.520 4.179 30.210 -99.200 -91.000 HIS 201 0.900 85.902 17.104 16.267 -99.200 -91.000 HIS 207 0.900 79.404 17.460 21.026 -99.200 -91.000 TRP 210 1.040 73.003 10.435 24.048 -99.200 -91.000 TRP6 210 1.020 70.980 9.981 25.187 -99.200 -91.000 PHE 220 1.000 63.107 8.375 20.667 -99.200 -91.000 TYR 230 0.840 68.954 15.871 15.074 -99.200 -91.000 PHE 232 1.000 72.535 19.736 11.131 -99.200 -91.000 TYR 242 0.840 81.708 10.266 14.694 -99.200 -91.000 HIS 251 0.900 68.135 8.252 21.387 -99.200 -91.000 TRP 253 1.040 69.904 4.997 10.997 -99.200 -91.000 TRP6 253 1.020 67.955 3.660 11.142 -99.200 -91.000 PHE 254 1.000 63.052 5.314 16.381 -99.200 -91.000 HIS 258 0.900 62.267 4.336 11.256 -99.200 -91.000 TYR 268 0.840 82.644 4.710 11.282 -99.200 -91.000 TRP 272 1.040 87.551 7.941 19.006 -99.200 -91.000 TRP6 272 1.020 87.970 9.528 17.300 -99.200 -91.000 TRP 275 1.040 88.323 8.272 12.365 -99.200 -91.000 TRP6 275 1.020 87.590 8.003 10.133 -99.200 -91.000