============================================================================= 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 8.126 6.265 18.547 -99.200 -91.000 TRP6 14 1.020 6.817 8.009 19.453 -99.200 -91.000 PHE 19 1.000 12.651 -5.191 3.275 -99.200 -91.000 TRP 37 1.040 22.788 10.283 14.541 -99.200 -91.000 TRP6 37 1.020 24.642 8.850 14.460 -99.200 -91.000 HIS 43 0.900 19.027 -9.046 19.398 -99.200 -91.000 TYR 47 0.840 23.416 -14.189 18.887 -99.200 -91.000 TRP 49 1.040 21.698 -18.002 16.666 -99.200 -91.000 TRP6 49 1.020 19.573 -17.101 17.152 -99.200 -91.000 PHE 53 1.000 22.221 -9.079 8.776 -99.200 -91.000 HIS 65 0.900 -1.110 0.619 10.088 -99.200 -91.000 TYR 70 0.840 7.283 1.807 -1.941 -99.200 -91.000 TYR 84 0.840 28.950 5.170 14.272 -99.200 -91.000 HIS 86 0.900 28.779 -0.071 24.983 -99.200 -91.000 TYR 89 0.840 26.157 -7.436 21.057 -99.200 -91.000 TRP 91 1.040 29.781 -11.248 20.368 -99.200 -91.000 TRP6 91 1.020 30.524 -13.469 20.198 -99.200 -91.000 PHE 110 1.000 11.942 14.630 12.001 -99.200 -91.000 TYR 113 0.840 1.104 9.316 7.624 -99.200 -91.000 HIS 115 0.900 7.560 14.528 15.574 -99.200 -91.000 TYR 132 0.840 5.400 4.190 37.895 -99.200 -91.000 TRP 139 1.040 5.381 -3.832 11.095 -99.200 -91.000 TRP6 139 1.020 6.884 -2.008 11.269 -99.200 -91.000 PHE 177 1.000 13.429 -1.540 30.848 -99.200 -91.000 TYR 181 0.840 0.056 -7.354 32.092 -99.200 -91.000 PHE 200 1.000 8.983 -0.724 28.346 -99.200 -91.000 PHE 206 1.000 6.364 13.928 36.284 -99.200 -91.000 TRP 210 1.040 4.034 9.052 23.365 -99.200 -91.000 TRP6 210 1.020 3.131 7.168 24.485 -99.200 -91.000 TYR 211 0.840 11.019 11.875 27.714 -99.200 -91.000 TRP 218 1.040 18.293 -10.941 27.120 -99.200 -91.000 TRP6 218 1.020 17.757 -12.431 28.865 -99.200 -91.000 TYR 228 0.840 8.536 -11.951 34.568 -99.200 -91.000 PHE 230 1.000 15.280 -10.497 31.537 -99.200 -91.000 TYR 231 0.840 11.510 -4.928 27.036 -99.200 -91.000 HIS 233 0.900 18.128 1.617 32.731 -99.200 -91.000 PHE 235 1.000 19.877 8.236 32.612 -99.200 -91.000 TRP 240 1.040 28.480 3.819 22.972 -99.200 -91.000 TRP6 240 1.020 26.921 3.075 21.396 -99.200 -91.000 PHE 248 1.000 32.169 8.671 15.079 -99.200 -91.000