============================================================================= 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. TRP 3 1.040 10.208 -7.063 18.655 -99.200 -91.000 TRP6 3 1.020 10.541 -9.403 18.718 -99.200 -91.000 PHE 5 1.000 -0.061 -1.645 18.146 -99.200 -91.000 PHE 22 1.000 -5.437 -5.172 23.631 -99.200 -91.000 TYR 25 0.840 -12.626 -6.177 21.889 -99.200 -91.000 TYR 28 0.840 -13.360 0.103 12.445 -99.200 -91.000 HIS 48 0.900 -2.598 0.666 15.212 -99.200 -91.000 TYR 52 0.840 -0.160 0.498 11.735 -99.200 -91.000 TYR 69 0.840 0.306 -3.945 8.740 -99.200 -91.000 TYR 73 0.840 8.005 2.009 16.083 -99.200 -91.000 TYR 75 0.840 9.141 0.554 21.948 -99.200 -91.000 PHE 94 1.000 1.634 9.575 10.375 -99.200 -91.000 PHE 106 1.000 -5.100 -1.343 21.465 -99.200 -91.000 TYR 111 0.840 -10.225 -7.725 25.905 -99.200 -91.000 HIS 115 0.900 -18.392 -5.637 22.408 -99.200 -91.000