============================================================================= 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 38.129 2.902 17.226 -99.200 -91.000 TYR 18 0.840 43.697 20.198 15.461 -99.200 -91.000 TYR 24 0.840 34.115 25.723 11.344 -99.200 -91.000 TYR 25 0.840 39.605 28.442 18.037 -99.200 -91.000 HIS 31 0.900 35.583 16.183 20.532 -99.200 -91.000 PHE 67 1.000 39.926 8.047 16.840 -99.200 -91.000 TYR 88 0.840 27.403 0.958 9.062 -99.200 -91.000 PHE 104 1.000 35.844 11.312 13.645 -99.200 -91.000 PHE 114 1.000 28.212 13.854 -0.107 -99.200 -91.000 TRP 126 1.040 31.295 -1.696 -5.873 -99.200 -91.000 TRP6 126 1.020 30.111 -1.053 -3.929 -99.200 -91.000 TRP 138 1.040 34.590 14.766 1.505 -99.200 -91.000 TRP6 138 1.020 34.295 12.760 0.294 -99.200 -91.000 TYR 139 0.840 37.867 15.049 -5.972 -99.200 -91.000 PHE 153 1.000 32.152 5.024 0.427 -99.200 -91.000 TRP 158 1.040 41.398 -2.026 4.947 -99.200 -91.000 TRP6 158 1.020 40.245 -0.202 5.940 -99.200 -91.000 TYR 161 0.840 42.643 5.394 4.284 -99.200 -91.000