============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. PHE 3 1.000 71.667 6.373 4.213 -99.200 -91.000 TYR 4 0.840 77.301 1.165 8.405 -99.200 -91.000 TYR 11 0.840 80.237 1.065 4.026 -99.200 -91.000 PHE 18 1.000 72.581 6.263 -1.435 -99.200 -91.000 HIS 25 0.900 62.044 20.991 -4.728 -99.200 -91.000 HIS 27 0.900 59.824 22.475 0.950 -99.200 -91.000 TRP 29 1.040 64.421 30.017 -1.506 -99.200 -91.000 TRP6 29 1.020 66.305 28.709 -2.146 -99.200 -91.000 TYR 30 0.840 60.525 28.422 -6.446 -99.200 -91.000 TRP 59 1.040 65.030 32.732 1.666 -99.200 -91.000 TRP6 59 1.020 67.051 31.726 2.321 -99.200 -91.000 HIS 86 0.900 70.317 27.322 0.860 -99.200 -91.000 TYR 103 0.840 64.106 23.761 10.853 -99.200 -91.000 TRP 104 1.040 69.357 20.490 11.516 -99.200 -91.000 TRP6 104 1.020 68.026 19.865 9.656 -99.200 -91.000 TRP 126 1.040 77.978 28.734 10.481 -99.200 -91.000 TRP6 126 1.020 79.861 27.871 11.603 -99.200 -91.000 TYR 127 0.840 84.160 30.601 9.660 -99.200 -91.000 TRP 130 1.040 89.730 30.771 1.142 -99.200 -91.000 TRP6 130 1.020 87.824 30.421 -0.198 -99.200 -91.000 TRP 135 1.040 83.757 24.448 8.419 -99.200 -91.000 TRP6 135 1.020 85.017 22.425 8.461 -99.200 -91.000 TYR 139 0.840 79.684 22.454 11.009 -99.200 -91.000 HIS 153 0.900 68.351 11.192 11.699 -99.200 -91.000 TRP 162 1.040 80.211 32.658 1.176 -99.200 -91.000 TRP6 162 1.020 78.064 33.620 1.003 -99.200 -91.000 TYR 165 0.840 89.797 27.372 3.138 -99.200 -91.000 HIS 170 0.900 94.277 17.724 3.026 -99.200 -91.000 TYR 172 0.840 91.698 23.351 11.343 -99.200 -91.000 PHE 177 1.000 84.444 10.319 11.645 -99.200 -91.000 PHE 187 1.000 83.746 16.161 7.378 -99.200 -91.000 HIS 190 0.900 77.371 23.492 -1.094 -99.200 -91.000 TYR 192 0.840 77.676 26.420 -7.205 -99.200 -91.000 TYR 194 0.840 85.562 32.104 -5.899 -99.200 -91.000 PHE 221 1.000 77.372 18.601 -10.015 -99.200 -91.000 HIS 223 0.900 75.504 24.782 -16.810 -99.200 -91.000 HIS 225 0.900 78.194 30.613 -15.845 -99.200 -91.000 TYR 238 0.840 89.225 11.966 -9.254 -99.200 -91.000 TRP 246 1.040 77.577 13.211 -9.481 -99.200 -91.000 TRP6 246 1.020 75.469 13.556 -10.562 -99.200 -91.000 TRP 249 1.040 71.458 25.447 -7.233 -99.200 -91.000 TRP6 249 1.020 70.697 25.153 -4.987 -99.200 -91.000 TRP 251 1.040 62.773 19.548 -10.578 -99.200 -91.000 TRP6 251 1.020 63.432 17.996 -12.256 -99.200 -91.000 TRP 258 1.040 73.738 32.615 -10.430 -99.200 -91.000 TRP6 258 1.020 73.535 34.774 -9.598 -99.200 -91.000 TYR 260 0.840 74.292 29.986 -15.062 -99.200 -91.000 TRP 267 1.040 57.847 24.219 -10.062 -99.200 -91.000 TRP6 267 1.020 59.847 24.069 -8.780 -99.200 -91.000 HIS 271 0.900 61.068 21.758 -22.808 -99.200 -91.000 TRP 275 1.040 72.278 22.284 -14.778 -99.200 -91.000 TRP6 275 1.020 74.315 21.137 -14.476 -99.200 -91.000 HIS 281 0.900 67.929 11.399 -20.490 -99.200 -91.000 PHE 296 1.000 64.338 4.453 -0.242 -99.200 -91.000 HIS 303 0.900