============================================================================= 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 2 1.000 31.268 15.165 -5.047 -99.200 -91.000 TYR 4 0.840 31.316 10.059 2.665 -99.200 -91.000 HIS 8 0.900 33.846 10.401 6.130 -99.200 -91.000 PHE 10 1.000 38.847 3.102 -2.115 -99.200 -91.000 TYR 12 0.840 34.772 5.201 8.181 -99.200 -91.000 TYR 24 0.840 20.135 -0.105 4.756 -99.200 -91.000 TYR 48 0.840 21.038 13.506 0.633 -99.200 -91.000 PHE 59 1.000 18.938 12.088 -4.771 -99.200 -91.000 TYR 60 0.840 16.657 19.114 -10.497 -99.200 -91.000 PHE 61 1.000 11.516 18.284 -10.294 -99.200 -91.000 HIS 68 0.900 13.736 24.885 2.856 -99.200 -91.000 PHE 76 1.000 21.148 23.880 -14.835 -99.200 -91.000 PHE 77 1.000 20.743 16.374 -8.696 -99.200 -91.000 PHE 78 1.000 26.717 20.525 -13.317 -99.200 -91.000 TYR 94 0.840 25.516 2.369 -6.671 -99.200 -91.000 HIS 98 0.900 29.744 1.379 -8.422 -99.200 -91.000 TYR 102 0.840 31.850 -1.532 -3.892 -99.200 -91.000 PHE 103 1.000 29.207 5.952 0.196 -99.200 -91.000 TYR 105 0.840 31.603 10.197 -3.996 -99.200 -91.000 TYR 108 0.840 23.576 21.307 -4.026 -99.200 -91.000