============================================================================= 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. HIS 15 0.900 19.520 20.410 123.456 -99.200 -91.000 HIS 16 0.900 14.810 25.374 119.979 -99.200 -91.000 TRP 18 1.040 14.791 18.829 128.729 -99.200 -91.000 TRP6 18 1.020 16.803 19.832 129.444 -99.200 -91.000 PHE 21 1.000 7.994 22.311 125.067 -99.200 -91.000 HIS 22 0.900 13.744 22.592 131.642 -99.200 -91.000 TYR 24 0.840 7.259 27.972 125.928 -99.200 -91.000 HIS 25 0.900 8.737 24.178 135.196 -99.200 -91.000 TRP 26 1.040 13.023 27.470 134.891 -99.200 -91.000 TRP6 26 1.020 14.782 27.358 133.311 -99.200 -91.000 PHE 33 1.000 4.409 29.965 138.733 -99.200 -91.000 PHE 34 1.000 1.607 24.274 141.263 -99.200 -91.000 HIS 37 0.900 6.699 25.683 137.893 -99.200 -91.000 TYR 39 0.840 0.344 21.342 128.943 -99.200 -91.000 TYR 44 0.840 10.908 20.393 132.623 -99.200 -91.000 PHE 50 1.000 18.850 14.549 123.577 -99.200 -91.000 PHE 84 1.000 7.573 33.063 127.585 -99.200 -91.000 TYR 97 0.840 2.669 20.153 122.496 -99.200 -91.000 TYR 99 0.840 9.507 21.954 114.015 -99.200 -91.000 PHE 104 1.000 6.796 13.033 116.716 -99.200 -91.000 PHE 122 1.000 9.431 7.646 118.110 -99.200 -91.000 TYR 130 0.840 3.161 15.879 120.447 -99.200 -91.000 TRP 135 1.040 -10.744 18.751 120.236 -99.200 -91.000 TRP6 135 1.020 -11.251 17.471 122.165 -99.200 -91.000