============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 27 0.840 30.036 23.097 45.409 -99.200 -91.000 TYR 35 0.840 34.028 49.581 37.369 -99.200 -91.000 PHE 49 1.000 25.010 38.484 41.993 -99.200 -91.000 PHE 53 1.000 22.902 34.569 44.594 -99.200 -91.000 PHE 61 1.000 33.045 48.612 41.188 -99.200 -91.000 PHE 78 1.000 33.856 50.817 50.650 -99.200 -91.000 HIS 88 0.900 45.449 48.682 39.054 -99.200 -91.000 PHE 90 1.000 48.357 51.776 37.918 -99.200 -91.000 PHE 111 1.000 40.399 42.129 49.785 -99.200 -91.000 HIS 118 0.900 47.468 42.306 32.522 -99.200 -91.000 PHE 124 1.000 54.946 50.317 30.707 -99.200 -91.000 TYR 144 0.840 48.818 43.983 51.054 -99.200 -91.000 PHE 166 1.000 41.574 37.115 52.905 -99.200 -91.000 PHE 185 1.000 53.976 30.577 47.307 -99.200 -91.000 TYR 196 0.840 32.496 34.079 33.942 -99.200 -91.000