============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 14 1.040 11.018 -15.869 54.879 -99.200 -91.000 TRP6 14 1.020 8.706 -15.398 54.757 -99.200 -91.000 PHE 19 1.000 29.190 -7.845 53.863 -99.200 -91.000 TRP 37 1.040 16.550 -17.049 69.645 -99.200 -91.000 TRP6 37 1.020 18.538 -18.108 70.360 -99.200 -91.000 HIS 43 0.900 27.567 -25.455 54.639 -99.200 -91.000 TYR 47 0.840 33.431 -27.998 55.462 -99.200 -91.000 TRP 49 1.040 36.432 -25.497 52.553 -99.200 -91.000 TRP6 49 1.020 34.300 -24.595 52.129 -99.200 -91.000 PHE 53 1.000 34.120 -17.354 59.182 -99.200 -91.000 HIS 65 0.900 15.138 -6.533 45.622 -99.200 -91.000 TYR 70 0.840 23.118 1.387 55.136 -99.200 -91.000 TYR 84 0.840 23.321 -21.053 71.621 -99.200 -91.000 HIS 86 0.900 22.578 -31.621 66.348 -99.200 -91.000 TYR 89 0.840 28.644 -29.318 61.190 -99.200 -91.000 TRP 91 1.040 33.296 -31.196 60.762 -99.200 -91.000 TRP6 91 1.020 35.397 -32.050 60.125 -99.200 -91.000 TYR 113 0.840 10.396 -2.971 52.748 -99.200 -91.000 HIS 115 0.900 5.883 -10.701 59.802 -99.200 -91.000 HIS 129 0.900 2.859 -36.212 51.816 -99.200 -91.000 PHE 132 1.000 2.132 -32.142 47.598 -99.200 -91.000 TRP 139 1.040 20.894 -11.045 47.648 -99.200 -91.000 TRP6 139 1.020 20.286 -11.177 49.928 -99.200 -91.000 TRP 146 1.040 33.467 -16.452 39.608 -99.200 -91.000 TRP6 146 1.020 32.922 -16.727 41.890 -99.200 -91.000 PHE 183 1.000 13.899 -30.917 52.235 -99.200 -91.000 TYR 187 0.840 11.469 -28.257 38.045 -99.200 -91.000 PHE 206 1.000 12.500 -26.621 49.522 -99.200 -91.000 TYR 212 0.840 -3.842 -28.160 54.952 -99.200 -91.000 TRP 216 1.040 4.696 -17.598 52.425 -99.200 -91.000 TRP6 216 1.020 5.417 -18.588 50.400 -99.200 -91.000 TYR 217 0.840 3.597 -23.454 58.654 -99.200 -91.000 TRP 224 1.040 24.971 -32.295 50.888 -99.200 -91.000 TRP6 224 1.020 25.440 -33.860 49.168 -99.200 -91.000 TYR 234 0.840 17.321 -35.336 41.533 -99.200 -91.000 PHE 236 1.000 21.095 -34.987 48.421 -99.200 -91.000 TYR 237 0.840 17.347 -27.688 49.205 -99.200 -91.000 HIS 239 0.900 12.869 -33.480 57.575 -99.200 -91.000 PHE 241 1.000 8.044 -31.859 62.591 -99.200 -91.000 TRP 246 1.040 20.484 -28.384 68.869 -99.200 -91.000 TRP6 246 1.020 20.745 -26.755 67.191 -99.200 -91.000