============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 4 1.000 5.353 17.222 -3.379 -99.200 -91.000 TYR 18 0.840 -9.353 10.538 7.193 -99.200 -91.000 TYR 24 0.840 -3.516 1.825 12.298 -99.200 -91.000 TYR 25 0.840 -8.494 7.900 16.583 -99.200 -91.000 HIS 31 0.900 0.575 14.125 9.825 -99.200 -91.000 PHE 67 1.000 0.922 16.039 -0.122 -99.200 -91.000 TYR 88 0.840 13.277 5.700 -4.489 -99.200 -91.000 PHE 103 1.000 1.856 10.745 2.267 -99.200 -91.000 PHE 113 1.000 3.842 -5.903 1.326 -99.200 -91.000 TRP 125 1.040 8.427 -3.727 -14.727 -99.200 -91.000 TRP6 125 1.020 9.704 -2.943 -12.899 -99.200 -91.000 TRP 137 1.040 -1.643 -0.107 0.967 -99.200 -91.000 TRP6 137 1.020 -0.421 -0.163 -1.063 -99.200 -91.000 TYR 138 0.840 -5.742 -4.052 -4.416 -99.200 -91.000 PHE 152 1.000 5.295 -0.034 -6.932 -99.200 -91.000 TRP 157 1.040 3.407 10.116 -14.050 -99.200 -91.000 TRP6 157 1.020 3.016 9.981 -11.716 -99.200 -91.000 TYR 160 0.840 -2.120 8.042 -9.557 -99.200 -91.000