============================================================================= 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 37.619 2.762 16.918 -99.200 -91.000 TYR 18 0.840 43.561 20.066 15.334 -99.200 -91.000 TYR 24 0.840 33.847 25.802 11.494 -99.200 -91.000 TYR 25 0.840 39.413 28.347 18.089 -99.200 -91.000 HIS 31 0.900 35.399 16.128 20.546 -99.200 -91.000 PHE 67 1.000 39.541 7.986 16.483 -99.200 -91.000 TYR 88 0.840 26.745 1.380 8.821 -99.200 -91.000 PHE 104 1.000 35.674 11.414 13.597 -99.200 -91.000 PHE 114 1.000 28.013 13.905 -0.237 -99.200 -91.000 TRP 126 1.040 30.597 -1.587 -5.851 -99.200 -91.000 TRP6 126 1.020 29.462 -0.915 -3.884 -99.200 -91.000 TRP 138 1.040 34.112 14.749 1.603 -99.200 -91.000 TRP6 138 1.020 33.815 12.705 0.440 -99.200 -91.000 TYR 139 0.840 37.324 15.045 -5.817 -99.200 -91.000 PHE 153 1.000 31.503 5.123 0.589 -99.200 -91.000 TRP 158 1.040 40.472 -1.984 5.038 -99.200 -91.000 TRP6 158 1.020 39.433 -0.032 5.880 -99.200 -91.000 TYR 161 0.840 42.155 5.359 4.279 -99.200 -91.000