============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TYR 5 0.840 -11.180 7.102 42.678 -99.200 -91.000 HIS 13 0.900 -16.605 -0.859 32.727 -99.200 -91.000 PHE 22 1.000 -12.967 19.646 34.325 -99.200 -91.000 TYR 23 0.840 -13.540 13.994 40.450 -99.200 -91.000 TYR 24 0.840 -13.334 13.234 31.847 -99.200 -91.000 TYR 27 0.840 -21.248 0.624 30.138 -99.200 -91.000 PHE 44 1.000 -30.606 10.141 35.988 -99.200 -91.000 PHE 66 1.000 -33.411 8.414 26.461 -99.200 -91.000 TRP 70 1.040 -39.857 9.301 19.110 -99.200 -91.000 TRP6 70 1.020 -40.880 11.382 18.640 -99.200 -91.000 PHE 81 1.000 -29.182 15.161 37.686 -99.200 -91.000 TYR 85 0.840 -32.742 20.895 36.356 -99.200 -91.000 PHE 95 1.000 -28.762 0.733 25.124 -99.200 -91.000 HIS 97 0.900 -29.546 -7.147 28.285 -99.200 -91.000 HIS 98 0.900 -33.061 -9.555 26.737 -99.200 -91.000 PHE 106 1.000 -31.322 6.576 30.697 -99.200 -91.000 TYR 113 0.840 -14.553 22.136 38.202 -99.200 -91.000