============================================================================= 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 37.980 2.884 17.159 -99.200 -91.000 TYR 18 0.840 43.904 20.342 15.399 -99.200 -91.000 TYR 24 0.840 34.251 25.870 11.617 -99.200 -91.000 TYR 25 0.840 39.788 28.542 18.176 -99.200 -91.000 HIS 31 0.900 35.694 16.318 20.676 -99.200 -91.000 PHE 67 1.000 39.807 8.140 16.774 -99.200 -91.000 TYR 88 0.840 27.673 0.764 8.705 -99.200 -91.000 PHE 104 1.000 35.920 11.405 13.597 -99.200 -91.000 PHE 114 1.000 28.161 14.048 -0.051 -99.200 -91.000 TRP 126 1.040 31.398 -1.576 -6.007 -99.200 -91.000 TRP6 126 1.020 30.179 -1.052 -4.050 -99.200 -91.000 TRP 138 1.040 34.551 14.976 1.590 -99.200 -91.000 TRP6 138 1.020 34.384 12.920 0.436 -99.200 -91.000 TYR 139 0.840 38.009 15.100 -5.693 -99.200 -91.000 PHE 153 1.000 32.174 5.259 0.420 -99.200 -91.000 TRP 158 1.040 41.326 -1.984 5.102 -99.200 -91.000 TRP6 158 1.020 40.199 -0.103 5.978 -99.200 -91.000 TYR 161 0.840 42.705 5.370 4.433 -99.200 -91.000