============================================================================= 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 8.773 6.356 18.606 -99.200 -91.000 TRP6 14 1.020 7.394 8.141 19.421 -99.200 -91.000 PHE 19 1.000 12.680 -5.532 3.483 -99.200 -91.000 TRP 37 1.040 23.430 10.372 14.407 -99.200 -91.000 TRP6 37 1.020 25.267 8.915 14.299 -99.200 -91.000 HIS 43 0.900 19.775 -9.130 19.701 -99.200 -91.000 TYR 47 0.840 24.306 -14.400 18.886 -99.200 -91.000 TRP 49 1.040 22.712 -18.319 16.684 -99.200 -91.000 TRP6 49 1.020 20.764 -17.081 17.154 -99.200 -91.000 PHE 53 1.000 22.675 -9.414 8.598 -99.200 -91.000 HIS 65 0.900 -0.807 0.567 10.323 -99.200 -91.000 TYR 70 0.840 7.241 1.743 -2.281 -99.200 -91.000 TYR 84 0.840 29.875 5.138 14.039 -99.200 -91.000 HIS 86 0.900 29.605 0.044 24.976 -99.200 -91.000 TYR 89 0.840 26.875 -7.437 21.372 -99.200 -91.000 TRP 91 1.040 30.629 -11.440 20.501 -99.200 -91.000 TRP6 91 1.020 31.511 -13.646 20.277 -99.200 -91.000 PHE 110 1.000 12.367 14.656 11.622 -99.200 -91.000 TYR 113 0.840 1.370 9.337 7.602 -99.200 -91.000 HIS 115 0.900 8.157 14.662 15.541 -99.200 -91.000 TYR 132 0.840 6.022 4.479 38.149 -99.200 -91.000 TRP 139 1.040 5.566 -3.992 11.091 -99.200 -91.000 TRP6 139 1.020 7.089 -2.178 11.321 -99.200 -91.000 PHE 177 1.000 14.205 -1.390 31.022 -99.200 -91.000 TYR 181 0.840 0.738 -7.338 32.146 -99.200 -91.000 PHE 200 1.000 9.572 -0.539 28.662 -99.200 -91.000 PHE 206 1.000 7.124 14.328 36.516 -99.200 -91.000 TRP 210 1.040 4.475 9.340 23.616 -99.200 -91.000 TRP6 210 1.020 3.739 7.317 24.593 -99.200 -91.000 TYR 211 0.840 11.537 12.101 27.808 -99.200 -91.000 TRP 218 1.040 18.806 -10.917 27.306 -99.200 -91.000 TRP6 218 1.020 18.223 -12.526 28.957 -99.200 -91.000 TYR 228 0.840 9.121 -11.998 34.897 -99.200 -91.000 PHE 230 1.000 15.844 -10.528 31.746 -99.200 -91.000 TYR 231 0.840 12.083 -4.904 27.129 -99.200 -91.000 HIS 233 0.900 18.873 1.620 32.762 -99.200 -91.000 PHE 235 1.000 20.634 8.541 32.593 -99.200 -91.000 TRP 240 1.040 29.226 3.921 22.672 -99.200 -91.000 TRP6 240 1.020 27.411 3.196 21.329 -99.200 -91.000 PHE 248 1.000 33.140 8.370 15.391 -99.200 -91.000