============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TRP 7 1.040 8.136 12.186 10.539 -99.200 -91.000 TRP6 7 1.020 6.905 14.210 10.570 -99.200 -91.000 TRP 26 1.040 0.289 -9.205 6.944 -99.200 -91.000 TRP6 26 1.020 -1.956 -8.501 6.696 -99.200 -91.000 PHE 28 1.000 1.566 -5.964 14.957 -99.200 -91.000 TRP 38 1.040 -6.725 9.612 13.247 -99.200 -91.000 TRP6 38 1.020 -8.493 10.142 11.760 -99.200 -91.000 PHE 39 1.000 0.384 13.737 16.284 -99.200 -91.000 HIS 43 0.900 -7.943 13.640 12.387 -99.200 -91.000 PHE 72 1.000 -1.286 1.209 3.544 -99.200 -91.000 TRP 74 1.040 -10.343 -5.973 3.627 -99.200 -91.000 TRP6 74 1.020 -10.712 -5.120 5.801 -99.200 -91.000 TYR 83 0.840 -13.524 -1.863 12.920 -99.200 -91.000 TYR 88 0.840 -11.293 -6.877 15.593 -99.200 -91.000 TYR 90 0.840 -1.525 -9.232 17.489 -99.200 -91.000 HIS 105 0.900 -14.717 -4.897 16.525 -99.200 -91.000 HIS 114 0.900 -2.452 2.027 -1.930 -99.200 -91.000 TRP 127 1.040 5.610 11.327 0.014 -99.200 -91.000 TRP6 127 1.020 4.585 10.329 1.897 -99.200 -91.000 TRP 143 1.040 16.666 -6.450 9.911 -99.200 -91.000 TRP6 143 1.020 14.914 -4.869 10.052 -99.200 -91.000 TYR 146 0.840 19.894 -3.652 15.413 -99.200 -91.000 HIS 161 0.900 9.597 -7.616 9.679 -99.200 -91.000 TYR 168 0.840 15.912 12.103 6.491 -99.200 -91.000 TYR 175 0.840 21.105 7.207 12.316 -99.200 -91.000 TRP 176 1.040 16.753 4.680 5.218 -99.200 -91.000 TRP6 176 1.020 15.350 6.483 4.593 -99.200 -91.000 TRP 182 1.040 9.872 -8.915 15.084 -99.200 -91.000 TRP6 182 1.020 11.935 -9.295 13.986 -99.200 -91.000 TRP 186 1.040 15.022 -7.434 17.325 -99.200 -91.000 TRP6 186 1.020 14.978 -5.553 15.890 -99.200 -91.000 TYR 191 0.840 11.432 3.008 17.238 -99.200 -91.000