============================================================================= 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. PHE 6 1.000 2.434 26.133 18.862 -99.200 -91.000 PHE 15 1.000 6.970 33.648 21.925 -99.200 -91.000 HIS 27 0.900 -28.658 35.537 9.940 -99.200 -91.000 TYR 38 0.840 -22.228 41.358 23.810 -99.200 -91.000 TYR 39 0.840 -14.110 39.693 25.649 -99.200 -91.000 PHE 74 1.000 -13.263 34.579 9.428 -99.200 -91.000 PHE 80 1.000 -3.842 41.314 22.181 -99.200 -91.000 TYR 87 0.840 -0.665 39.756 25.975 -99.200 -91.000 HIS 88 0.900 3.028 37.399 16.386 -99.200 -91.000 PHE 92 1.000 -4.706 27.523 12.688 -99.200 -91.000 HIS 93 0.900 -11.121 33.512 14.930 -99.200 -91.000 TYR 94 0.840 -11.037 24.676 13.153 -99.200 -91.000 TRP 116 1.040 -27.449 31.397 21.659 -99.200 -91.000 TRP6 116 1.020 -26.286 29.977 20.156 -99.200 -91.000 PHE 131 1.000 -11.544 38.399 12.396 -99.200 -91.000 TRP 139 1.040 -16.090 32.584 5.852 -99.200 -91.000 TRP6 139 1.020 -16.860 30.359 5.782 -99.200 -91.000 HIS 145 0.900 -2.886 35.709 5.994 -99.200 -91.000 HIS 147 0.900 -1.862 40.002 7.909 -99.200 -91.000