============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 3 0.840 32.790 22.982 4.003 -99.200 -91.000 TYR 7 0.840 16.645 22.033 4.969 -99.200 -91.000 PHE 8 1.000 12.454 20.051 1.318 -99.200 -91.000 TRP 28 1.040 26.615 27.623 3.103 -99.200 -91.000 TRP6 28 1.020 27.180 29.236 4.746 -99.200 -91.000 TRP 38 1.040 10.882 16.205 -1.212 -99.200 -91.000 TRP6 38 1.020 13.113 15.407 -1.131 -99.200 -91.000 TYR 49 0.840 19.605 7.275 6.410 -99.200 -91.000 PHE 55 1.000 27.936 20.134 4.344 -99.200 -91.000 TYR 63 0.840 22.067 11.864 1.413 -99.200 -91.000 HIS 71 0.900 32.712 15.907 7.513 -99.200 -91.000 TYR 79 0.840 32.579 15.661 18.296 -99.200 -91.000 TYR 103 0.840 10.285 24.821 16.622 -99.200 -91.000 TYR 111 0.840 1.816 27.300 16.057 -99.200 -91.000 TYR 118 0.840 7.049 22.880 22.415 -99.200 -91.000 PHE 129 1.000 19.432 22.079 26.302 -99.200 -91.000 PHE 142 1.000 32.786 29.495 23.599 -99.200 -91.000 PHE 150 1.000 28.932 18.452 17.510 -99.200 -91.000 TYR 153 0.840 28.809 27.457 15.801 -99.200 -91.000 HIS 162 0.900 12.199 25.910 21.437 -99.200 -91.000 PHE 173 1.000 14.946 28.796 32.127 -99.200 -91.000 TYR 179 0.840 25.153 29.504 24.757 -99.200 -91.000 PHE 192 1.000 24.132 32.669 8.411 -99.200 -91.000 TYR 198 0.840 19.130 33.583 10.690 -99.200 -91.000