============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 15 1.000 8.434 9.083 42.383 -99.200 -91.000 PHE 29 1.000 15.784 2.735 32.639 -99.200 -91.000 HIS 35 0.900 11.225 17.848 45.796 -99.200 -91.000 HIS 46 0.900 9.024 13.583 46.932 -99.200 -91.000 TRP 48 1.040 12.839 5.677 40.481 -99.200 -91.000 TRP6 48 1.020 14.194 3.837 39.864 -99.200 -91.000 TYR 72 0.840 12.560 8.935 56.352 -99.200 -91.000 HIS 83 0.900 19.956 3.638 47.454 -99.200 -91.000 PHE 97 1.000 18.230 -0.317 37.124 -99.200 -91.000 TYR 108 0.840 11.928 -6.599 38.189 -99.200 -91.000 PHE 110 1.000 8.210 4.443 39.311 -99.200 -91.000 PHE 111 1.000 9.612 0.975 46.657 -99.200 -91.000 PHE 114 1.000 9.311 12.426 54.069 -99.200 -91.000 HIS 117 0.900 6.549 11.832 50.602 -99.200 -91.000