============================================================================= 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 -38.093 -2.739 3.406 -99.200 -91.000 TRP6 14 1.020 -36.548 -4.530 3.419 -99.200 -91.000 PHE 19 1.000 -40.898 14.376 3.128 -99.200 -91.000 TRP 37 1.040 -43.805 0.189 -11.060 -99.200 -91.000 TRP6 37 1.020 -45.916 1.181 -11.472 -99.200 -91.000 HIS 43 0.900 -55.046 6.374 4.970 -99.200 -91.000 TYR 47 0.840 -60.963 10.603 4.529 -99.200 -91.000 TRP 49 1.040 -60.629 14.776 7.247 -99.200 -91.000 TRP6 49 1.020 -59.238 13.289 8.447 -99.200 -91.000 PHE 53 1.000 -52.320 15.823 -1.324 -99.200 -91.000 HIS 65 0.900 -30.715 5.932 10.942 -99.200 -91.000 TYR 70 0.840 -29.281 17.186 1.901 -99.200 -91.000 TYR 84 0.840 -50.285 3.872 -12.190 -99.200 -91.000 HIS 86 0.900 -58.574 -2.248 -5.922 -99.200 -91.000 TYR 89 0.840 -59.541 4.780 -0.887 -99.200 -91.000 TRP 91 1.040 -63.476 8.297 -0.360 -99.200 -91.000 TRP6 91 1.020 -64.968 9.877 0.571 -99.200 -91.000 PHE 110 1.000 -32.948 -1.179 -6.765 -99.200 -91.000 TYR 113 0.840 -26.272 3.751 3.305 -99.200 -91.000 HIS 115 0.900 -31.802 -4.732 -2.359 -99.200 -91.000 TYR 132 0.840 -46.672 -18.065 12.508 -99.200 -91.000 TRP 139 1.040 -40.287 8.942 9.957 -99.200 -91.000 TRP6 139 1.020 -37.930 9.053 9.798 -99.200 -91.000 PHE 170 1.000 -52.095 -7.928 8.183 -99.200 -91.000 TYR 174 0.840 -46.474 -6.991 21.551 -99.200 -91.000 PHE 193 1.000 -47.418 -6.820 10.131 -99.200 -91.000 PHE 199 1.000 -41.257 -21.787 4.956 -99.200 -91.000 TRP 203 1.040 -36.022 -8.821 5.988 -99.200 -91.000 TRP6 203 1.020 -37.022 -8.617 8.119 -99.200 -91.000 TYR 204 0.840 -41.358 -13.098 0.579 -99.200 -91.000 TRP 211 1.040 -58.541 1.717 11.311 -99.200 -91.000 TRP6 211 1.020 -59.284 0.115 9.730 -99.200 -91.000 TYR 221 0.840 -55.773 -5.766 19.120 -99.200 -91.000 PHE 223 1.000 -58.248 -2.594 13.325 -99.200 -91.000 TYR 224 0.840 -50.773 -3.243 10.246 -99.200 -91.000 HIS 226 0.900 -54.251 -10.715 3.308 -99.200 -91.000 PHE 228 1.000 -51.432 -14.294 -1.990 -99.200 -91.000 TRP 233 1.040 -55.286 -2.497 -8.794 -99.200 -91.000 TRP6 233 1.020 -53.836 -1.139 -7.507 -99.200 -91.000 PHE 241 1.000 -51.731 1.305 -16.983 -99.200 -91.000