============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 2 0.840 38.451 16.432 32.021 -99.200 -91.000 TYR 3 0.840 36.666 22.414 27.584 -99.200 -91.000 HIS 4 0.900 41.433 15.774 27.785 -99.200 -91.000 HIS 11 0.900 60.666 25.418 22.147 -99.200 -91.000 TRP 18 1.040 40.166 23.035 36.046 -99.200 -91.000 TRP6 18 1.020 38.915 23.504 34.089 -99.200 -91.000 TYR 21 0.840 51.526 20.837 31.893 -99.200 -91.000 PHE 25 1.000 61.672 19.002 27.522 -99.200 -91.000 HIS 39 0.900 45.308 18.111 20.174 -99.200 -91.000 HIS 74 0.900 51.720 39.588 23.675 -99.200 -91.000 TYR 104 0.840 46.467 42.587 31.647 -99.200 -91.000 PHE 121 1.000 47.436 43.476 10.529 -99.200 -91.000 HIS 143 0.900 43.187 44.168 4.997 -99.200 -91.000 PHE 152 1.000 44.091 31.181 4.440 -99.200 -91.000 TYR 157 0.840 40.052 14.243 2.552 -99.200 -91.000 PHE 172 1.000 48.143 36.056 -1.337 -99.200 -91.000 TRP 183 1.040 40.453 18.483 11.235 -99.200 -91.000 TRP6 183 1.020 38.633 19.873 10.609 -99.200 -91.000 HIS 192 0.900 56.164 36.640 -9.627 -99.200 -91.000