============================================================================= 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 19.149 34.348 2.971 -99.200 -91.000 TYR 18 0.840 13.776 44.307 18.747 -99.200 -91.000 TYR 24 0.840 4.587 38.506 21.471 -99.200 -91.000 TYR 25 0.840 10.893 41.274 26.769 -99.200 -91.000 HIS 31 0.900 15.887 34.079 16.801 -99.200 -91.000 PHE 68 1.000 18.189 37.559 7.572 -99.200 -91.000 TYR 89 0.840 8.761 27.442 -1.960 -99.200 -91.000 PHE 105 1.000 12.200 35.936 9.229 -99.200 -91.000 PHE 115 1.000 -2.807 35.232 5.939 -99.200 -91.000 TRP 127 1.040 -0.340 36.172 -10.511 -99.200 -91.000 TRP6 127 1.020 0.638 34.533 -9.178 -99.200 -91.000 TRP 139 1.040 0.827 40.154 7.249 -99.200 -91.000 TRP6 139 1.020 0.476 40.226 4.943 -99.200 -91.000 TYR 140 0.840 -3.615 46.037 4.217 -99.200 -91.000 PHE 154 1.000 2.757 36.448 -1.932 -99.200 -91.000 TRP 159 1.040 13.321 40.754 -6.307 -99.200 -91.000 TRP6 159 1.020 12.569 40.250 -4.161 -99.200 -91.000 TYR 162 0.840 10.557 44.088 -0.236 -99.200 -91.000