============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 4 1.040 51.217 62.497 33.923 -99.200 -91.000 TRP6 4 1.020 51.379 61.751 31.690 -99.200 -91.000 PHE 13 1.000 39.878 59.094 25.835 -99.200 -91.000 HIS 32 0.900 45.149 47.710 42.108 -99.200 -91.000 PHE 49 1.000 27.832 42.554 38.755 -99.200 -91.000 TRP 51 1.040 29.336 37.852 27.441 -99.200 -91.000 TRP6 51 1.020 27.470 37.090 26.209 -99.200 -91.000 TYR 88 0.840 36.073 33.036 31.945 -99.200 -91.000 HIS 89 0.900 25.471 31.960 32.108 -99.200 -91.000 TYR 95 0.840 24.488 32.510 43.649 -99.200 -91.000 HIS 106 0.900 15.939 39.933 41.717 -99.200 -91.000 PHE 110 1.000 16.714 37.438 29.343 -99.200 -91.000 HIS 127 0.900 13.235 35.612 33.847 -99.200 -91.000 PHE 128 1.000 13.693 41.207 27.794 -99.200 -91.000 TYR 134 0.840 15.278 44.204 39.278 -99.200 -91.000 TRP 135 1.040 18.680 44.715 31.938 -99.200 -91.000 TRP6 135 1.020 18.252 43.660 29.864 -99.200 -91.000 TRP 150 1.040 33.902 40.671 16.193 -99.200 -91.000 TRP6 150 1.020 33.236 42.405 17.648 -99.200 -91.000 HIS 151 0.900 36.243 34.299 12.991 -99.200 -91.000 PHE 153 1.000 30.628 35.790 22.891 -99.200 -91.000 TYR 154 0.840 28.997 38.930 17.980 -99.200 -91.000 PHE 165 1.000 27.857 43.924 17.537 -99.200 -91.000 PHE 166 1.000 31.188 50.407 21.031 -99.200 -91.000 HIS 169 0.900 35.347 58.269 13.879 -99.200 -91.000 TYR 191 0.840 30.050 56.493 39.540 -99.200 -91.000 TYR 201 0.840 43.490 52.720 19.417 -99.200 -91.000 TYR 212 0.840 27.978 53.969 23.217 -99.200 -91.000