============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 6 1.000 24.424 -0.485 103.425 -99.200 -91.000 HIS 8 0.900 20.940 3.415 101.531 -99.200 -91.000 PHE 10 1.000 14.927 7.382 98.431 -99.200 -91.000 HIS 15 0.900 8.194 12.407 99.048 -99.200 -91.000 HIS 20 0.900 8.634 18.409 96.250 -99.200 -91.000 TYR 22 0.840 16.674 25.163 101.809 -99.200 -91.000 PHE 28 1.000 16.900 26.206 95.249 -99.200 -91.000 PHE 31 1.000 16.839 25.590 90.084 -99.200 -91.000 PHE 35 1.000 17.898 11.949 94.861 -99.200 -91.000 PHE 39 1.000 15.337 16.363 99.252 -99.200 -91.000 TRP 44 1.040 19.250 6.136 105.414 -99.200 -91.000 TRP6 44 1.020 17.272 6.313 104.142 -99.200 -91.000 TYR 52 0.840 31.575 -2.584 111.970 -99.200 -91.000 HIS 68 0.900 23.275 15.735 91.466 -99.200 -91.000 TRP 94 1.040 32.028 6.203 105.399 -99.200 -91.000 TRP6 94 1.020 31.596 3.896 105.471 -99.200 -91.000 HIS 99 0.900 23.766 2.294 89.610 -99.200 -91.000 HIS 110 0.900 29.385 11.940 104.568 -99.200 -91.000 HIS 116 0.900 28.632 10.447 125.687 -99.200 -91.000 PHE 120 1.000 26.580 17.268 118.246 -99.200 -91.000