============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 4 1.000 1.872 -7.052 17.928 -99.200 -91.000 TYR 18 0.840 16.279 -5.157 7.153 -99.200 -91.000 TYR 24 0.840 15.210 6.591 4.957 -99.200 -91.000 TYR 25 0.840 22.851 1.950 6.806 -99.200 -91.000 HIS 31 0.900 13.991 -0.508 16.026 -99.200 -91.000 PHE 67 1.000 6.302 -7.044 14.798 -99.200 -91.000 TYR 88 0.840 -8.554 5.177 17.157 -99.200 -91.000 TRP 96 1.040 -6.111 1.837 14.552 -99.200 -91.000 TRP6 96 1.020 -6.253 1.214 16.828 -99.200 -91.000 PHE 104 1.000 6.462 -1.851 12.287 -99.200 -91.000 PHE 114 1.000 0.865 9.055 2.637 -99.200 -91.000 TRP 126 1.040 -14.720 2.545 3.507 -99.200 -91.000 TRP6 126 1.020 -13.460 3.547 5.240 -99.200 -91.000 TRP 138 1.040 3.364 3.378 1.331 -99.200 -91.000 TRP6 138 1.020 1.055 2.936 1.202 -99.200 -91.000 TYR 139 0.840 0.672 1.431 -5.955 -99.200 -91.000 PHE 153 1.000 -5.921 2.448 5.089 -99.200 -91.000 TRP 158 1.040 -7.916 -9.306 8.399 -99.200 -91.000 TRP6 158 1.020 -6.017 -7.922 8.607 -99.200 -91.000 TYR 161 0.840 -1.809 -8.021 4.490 -99.200 -91.000