============================================================================= 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 38.304 2.929 17.112 -99.200 -91.000 TYR 18 0.840 43.802 20.202 15.461 -99.200 -91.000 TYR 24 0.840 34.224 25.630 11.454 -99.200 -91.000 TYR 25 0.840 39.684 28.363 18.000 -99.200 -91.000 HIS 31 0.900 35.654 16.034 20.509 -99.200 -91.000 PHE 67 1.000 39.964 7.965 16.704 -99.200 -91.000 TYR 88 0.840 27.403 0.506 9.049 -99.200 -91.000 PHE 104 1.000 35.959 11.223 13.582 -99.200 -91.000 PHE 114 1.000 28.262 14.021 -0.172 -99.200 -91.000 TRP 126 1.040 31.227 -1.625 -5.913 -99.200 -91.000 TRP6 126 1.020 30.048 -1.058 -3.941 -99.200 -91.000 TRP 138 1.040 34.563 14.870 1.568 -99.200 -91.000 TRP6 138 1.020 34.350 12.826 0.394 -99.200 -91.000 TYR 139 0.840 37.955 15.102 -5.799 -99.200 -91.000 PHE 153 1.000 32.162 5.191 0.345 -99.200 -91.000 TRP 158 1.040 41.323 -1.992 4.964 -99.200 -91.000 TRP6 158 1.020 40.164 -0.146 5.883 -99.200 -91.000 TYR 161 0.840 42.735 5.243 4.213 -99.200 -91.000