============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.429 6.273 18.410 -99.200 -91.000 TRP6 14 1.020 7.201 8.101 19.218 -99.200 -91.000 PHE 19 1.000 12.687 -5.374 3.242 -99.200 -91.000 TRP 37 1.040 23.024 10.265 14.333 -99.200 -91.000 TRP6 37 1.020 24.802 8.748 14.239 -99.200 -91.000 HIS 43 0.900 19.417 -9.484 19.324 -99.200 -91.000 TYR 47 0.840 24.079 -14.356 18.701 -99.200 -91.000 TRP 49 1.040 22.446 -18.308 16.135 -99.200 -91.000 TRP6 49 1.020 20.589 -17.012 16.731 -99.200 -91.000 PHE 53 1.000 22.599 -9.204 8.478 -99.200 -91.000 HIS 65 0.900 -0.889 0.554 10.391 -99.200 -91.000 TYR 70 0.840 7.441 1.779 -1.952 -99.200 -91.000 TYR 84 0.840 29.339 4.994 14.079 -99.200 -91.000 HIS 86 0.900 29.157 -0.027 24.610 -99.200 -91.000 TYR 89 0.840 26.563 -7.526 20.817 -99.200 -91.000 TRP 91 1.040 30.185 -11.193 20.363 -99.200 -91.000 TRP6 91 1.020 31.199 -13.285 20.004 -99.200 -91.000 PHE 110 1.000 12.108 14.802 11.746 -99.200 -91.000 TYR 113 0.840 1.176 9.257 7.525 -99.200 -91.000 HIS 115 0.900 8.010 14.432 15.388 -99.200 -91.000 TYR 132 0.840 5.929 4.286 37.715 -99.200 -91.000 TRP 139 1.040 5.520 -3.882 11.091 -99.200 -91.000 TRP6 139 1.020 7.092 -2.143 11.212 -99.200 -91.000 PHE 177 1.000 13.822 -1.482 30.537 -99.200 -91.000 TYR 181 0.840 0.513 -7.262 32.116 -99.200 -91.000 PHE 200 1.000 9.397 -0.770 28.187 -99.200 -91.000 PHE 206 1.000 7.115 14.047 35.723 -99.200 -91.000 TRP 210 1.040 4.297 9.194 23.318 -99.200 -91.000 TRP6 210 1.020 3.552 7.195 24.283 -99.200 -91.000 TYR 211 0.840 11.395 11.917 27.521 -99.200 -91.000 TRP 218 1.040 18.467 -11.001 26.905 -99.200 -91.000 TRP6 218 1.020 17.807 -12.529 28.570 -99.200 -91.000 TYR 228 0.840 8.840 -11.841 34.465 -99.200 -91.000 PHE 230 1.000 15.522 -10.501 31.375 -99.200 -91.000 TYR 231 0.840 11.768 -4.935 26.825 -99.200 -91.000 HIS 233 0.900 18.620 1.645 32.379 -99.200 -91.000 PHE 235 1.000 20.401 8.342 32.256 -99.200 -91.000 TRP 240 1.040 28.911 3.793 22.559 -99.200 -91.000 TRP6 240 1.020 27.117 3.142 21.203 -99.200 -91.000 PHE 248 1.000 32.468 8.381 15.307 -99.200 -91.000