============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 4 1.000 38.513 2.957 17.032 -99.200 -91.000 TYR 18 0.840 43.890 20.379 15.264 -99.200 -91.000 TYR 24 0.840 34.258 25.668 11.431 -99.200 -91.000 TYR 25 0.840 39.678 28.470 18.004 -99.200 -91.000 HIS 31 0.900 35.802 16.183 20.443 -99.200 -91.000 PHE 67 1.000 40.311 8.072 16.693 -99.200 -91.000 TYR 88 0.840 27.538 0.792 9.045 -99.200 -91.000 HIS 96 0.900 29.404 -1.992 7.538 -99.200 -91.000 PHE 104 1.000 36.063 11.356 13.676 -99.200 -91.000 PHE 114 1.000 28.359 14.080 -0.069 -99.200 -91.000 TRP 126 1.040 31.174 -1.621 -5.817 -99.200 -91.000 TRP6 126 1.020 30.007 -1.026 -3.838 -99.200 -91.000 TRP 138 1.040 34.599 14.962 1.515 -99.200 -91.000 TRP6 138 1.020 34.324 12.927 0.367 -99.200 -91.000 TYR 139 0.840 37.846 15.133 -5.917 -99.200 -91.000 PHE 153 1.000 32.046 5.116 0.437 -99.200 -91.000 TRP 158 1.040 41.386 -1.881 4.952 -99.200 -91.000 TRP6 158 1.020 40.299 -0.005 5.891 -99.200 -91.000 TYR 161 0.840 42.798 5.439 4.196 -99.200 -91.000