============================================================================= 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 44.757 34.748 29.641 -99.200 -91.000 TRP6 14 1.020 45.779 35.962 31.389 -99.200 -91.000 PHE 19 1.000 41.823 32.458 10.543 -99.200 -91.000 TRP 37 1.040 52.257 21.402 25.891 -99.200 -91.000 TRP6 37 1.020 51.205 19.460 25.062 -99.200 -91.000 HIS 43 0.900 32.461 22.858 21.679 -99.200 -91.000 TYR 47 0.840 28.896 17.975 18.072 -99.200 -91.000 TRP 49 1.040 26.808 20.277 14.463 -99.200 -91.000 TRP6 49 1.020 27.179 22.378 15.483 -99.200 -91.000 PHE 53 1.000 38.195 21.753 11.819 -99.200 -91.000 HIS 65 0.900 42.218 44.977 21.245 -99.200 -91.000 TYR 70 0.840 49.178 38.920 9.449 -99.200 -91.000 TYR 84 0.840 48.917 15.377 22.542 -99.200 -91.000 HIS 86 0.900 39.268 13.258 29.463 -99.200 -91.000 TYR 89 0.840 34.341 15.696 23.001 -99.200 -91.000 TRP 91 1.040 31.983 12.148 20.052 -99.200 -91.000 TRP6 91 1.020 30.382 11.383 18.482 -99.200 -91.000 PHE 110 1.000 55.616 32.764 27.278 -99.200 -91.000 TYR 113 0.840 50.828 44.133 22.598 -99.200 -91.000 HIS 115 0.900 52.928 36.283 31.165 -99.200 -91.000 TYR 132 0.840 33.624 33.764 45.933 -99.200 -91.000 TRP 139 1.040 38.633 38.395 18.681 -99.200 -91.000 TRP6 139 1.020 40.376 37.031 19.503 -99.200 -91.000 PHE 177 1.000 32.875 26.829 35.828 -99.200 -91.000 TYR 181 0.840 25.424 39.271 36.077 -99.200 -91.000 PHE 200 1.000 34.168 31.678 34.594 -99.200 -91.000 PHE 206 1.000 48.356 33.795 49.054 -99.200 -91.000 TRP 210 1.040 44.281 38.160 35.793 -99.200 -91.000 TRP6 210 1.020 41.963 38.645 35.813 -99.200 -91.000 TYR 211 0.840 45.738 30.709 39.983 -99.200 -91.000 TRP 218 1.040 27.381 22.191 27.583 -99.200 -91.000 TRP6 218 1.020 25.163 22.322 28.389 -99.200 -91.000 TYR 228 0.840 21.366 30.286 34.991 -99.200 -91.000 PHE 230 1.000 25.200 24.272 32.132 -99.200 -91.000 TYR 231 0.840 31.489 29.345 31.105 -99.200 -91.000 HIS 233 0.900 35.707 22.002 38.213 -99.200 -91.000 PHE 235 1.000 41.435 20.981 41.280 -99.200 -91.000 TRP 240 1.040 43.564 13.889 29.184 -99.200 -91.000 TRP6 240 1.020 43.370 15.858 27.889 -99.200 -91.000 PHE 248 1.000 52.025 11.714 24.673 -99.200 -91.000