============================================================================= 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 38.196 2.949 17.198 -99.200 -91.000 TYR 18 0.840 43.775 20.258 15.397 -99.200 -91.000 TYR 24 0.840 34.189 25.764 11.451 -99.200 -91.000 TYR 25 0.840 39.528 28.442 18.056 -99.200 -91.000 HIS 31 0.900 35.511 16.082 20.574 -99.200 -91.000 PHE 67 1.000 39.939 8.003 16.804 -99.200 -91.000 TYR 88 0.840 27.425 0.692 9.189 -99.200 -91.000 PHE 104 1.000 35.900 11.271 13.715 -99.200 -91.000 PHE 114 1.000 28.278 13.992 -0.148 -99.200 -91.000 TRP 126 1.040 31.356 -1.766 -5.919 -99.200 -91.000 TRP6 126 1.020 30.160 -1.297 -3.937 -99.200 -91.000 TRP 138 1.040 34.629 14.853 1.484 -99.200 -91.000 TRP6 138 1.020 34.424 12.827 0.333 -99.200 -91.000 TYR 139 0.840 37.913 15.169 -5.994 -99.200 -91.000 PHE 153 1.000 32.159 5.178 0.395 -99.200 -91.000 TRP 158 1.040 41.420 -1.982 5.041 -99.200 -91.000 TRP6 158 1.020 40.362 -0.075 5.943 -99.200 -91.000 TYR 161 0.840 42.724 5.414 4.341 -99.200 -91.000