============================================================================= 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 2 1.000 34.653 36.326 18.736 -99.200 -91.000 HIS 8 0.900 36.725 35.193 37.763 -99.200 -91.000 TYR 11 0.840 26.515 40.245 40.913 -99.200 -91.000 PHE 12 1.000 27.017 45.233 50.060 -99.200 -91.000 TRP 55 1.040 24.723 14.744 32.127 -99.200 -91.000 TRP6 55 1.020 25.866 16.551 33.126 -99.200 -91.000 TYR 63 0.840 33.321 19.667 27.063 -99.200 -91.000 PHE 75 1.000 48.690 18.481 13.399 -99.200 -91.000 HIS 79 0.900 50.085 21.266 10.782 -99.200 -91.000 PHE 92 1.000 40.931 10.365 21.670 -99.200 -91.000 TYR 99 0.840 45.483 16.402 30.777 -99.200 -91.000 HIS 114 0.900 23.969 17.896 20.921 -99.200 -91.000 TYR 121 0.840 22.337 34.954 29.412 -99.200 -91.000 PHE 122 1.000 25.893 30.635 22.674 -99.200 -91.000 PHE 153 1.000 27.801 22.720 32.889 -99.200 -91.000 PHE 154 1.000 34.767 18.312 31.733 -99.200 -91.000 TYR 160 0.840 40.734 23.334 36.937 -99.200 -91.000 TYR 173 0.840 49.120 15.642 25.001 -99.200 -91.000 PHE 181 1.000 64.687 15.334 9.228 -99.200 -91.000