============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 11 1.000 2.498 49.658 76.687 -99.200 -91.000 HIS 22 0.900 7.967 51.989 61.990 -99.200 -91.000 PHE 24 1.000 10.750 52.131 64.763 -99.200 -91.000 PHE 25 1.000 8.513 43.912 68.091 -99.200 -91.000 TYR 35 0.840 15.374 37.660 65.277 -99.200 -91.000 TYR 39 0.840 5.401 33.900 61.622 -99.200 -91.000 PHE 41 1.000 3.002 44.365 66.385 -99.200 -91.000 TYR 53 0.840 15.768 48.538 62.486 -99.200 -91.000 PHE 58 1.000 15.615 52.450 67.479 -99.200 -91.000 HIS 77 0.900 18.446 38.361 83.112 -99.200 -91.000 PHE 90 1.000 18.156 57.840 68.221 -99.200 -91.000 PHE 102 1.000 15.878 38.437 87.411 -99.200 -91.000 TYR 114 0.840 3.670 53.473 80.043 -99.200 -91.000 TYR 118 0.840 12.979 39.245 81.782 -99.200 -91.000 TRP 120 1.040 17.058 34.484 85.046 -99.200 -91.000 TRP6 120 1.020 17.477 34.032 82.792 -99.200 -91.000 TYR 131 0.840 11.464 33.600 74.067 -99.200 -91.000 TYR 135 0.840 4.508 35.599 71.814 -99.200 -91.000 PHE 139 1.000 -0.156 37.198 70.656 -99.200 -91.000 PHE 151 1.000 -4.572 40.226 76.185 -99.200 -91.000 TYR 165 0.840 8.143 26.710 78.687 -99.200 -91.000 PHE 179 1.000 23.340 19.081 71.308 -99.200 -91.000 HIS 183 0.900 26.107 17.248 68.611 -99.200 -91.000 TYR 190 0.840 26.916 25.325 59.671 -99.200 -91.000 TYR 197 0.840 17.057 33.107 61.667 -99.200 -91.000 TYR 201 0.840 21.020 36.135 65.949 -99.200 -91.000 TYR 203 0.840 21.300 25.569 71.491 -99.200 -91.000 TRP 211 1.040 34.624 30.576 74.586 -99.200 -91.000 TRP6 211 1.020 36.553 30.270 75.911 -99.200 -91.000 HIS 213 0.900 34.583 28.290 65.231 -99.200 -91.000 HIS 215 0.900 25.479 31.092 59.007 -99.200 -91.000 HIS 218 0.900 14.437 31.671 56.495 -99.200 -91.000 TYR 222 0.840 19.866 23.319 54.297 -99.200 -91.000 PHE 223 1.000 16.457 22.906 50.747 -99.200 -91.000 HIS 224 0.900 17.102 29.371 46.968 -99.200 -91.000 PHE 227 1.000 21.463 23.222 48.406 -99.200 -91.000 PHE 236 1.000 23.319 22.173 58.932 -99.200 -91.000 PHE 255 1.000 20.007 18.623 50.452 -99.200 -91.000 TYR 259 0.840 21.805 14.336 49.113 -99.200 -91.000 TYR 271 0.840 8.649 19.438 72.061 -99.200 -91.000 PHE 273 1.000 3.007 23.280 71.498 -99.200 -91.000 TYR 283 0.840 0.843 33.931 66.038 -99.200 -91.000 TYR 296 0.840 18.262 18.680 73.103 -99.200 -91.000 HIS 306 0.900 33.125 26.847 77.682 -99.200 -91.000 HIS 310 0.900 35.486 29.975 81.112 -99.200 -91.000 TYR 313 0.840 37.715 37.544 74.181 -99.200 -91.000 TRP 314 1.040 29.127 40.600 82.094 -99.200 -91.000 TRP6 314 1.020 28.476 38.322 81.938 -99.200 -91.000 TYR 318 0.840 32.898 44.146 75.857 -99.200 -91.000