============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 23 1.040 12.993 -36.855 -9.108 -99.200 -91.000 TRP6 23 1.020 14.958 -37.861 -8.259 -99.200 -91.000 TRP 25 1.040 10.830 -42.482 -6.011 -99.200 -91.000 TRP6 25 1.020 12.699 -43.199 -7.274 -99.200 -91.000 PHE 35 1.000 -6.481 -28.695 -2.164 -99.200 -91.000 HIS 36 0.900 -0.002 -32.571 -3.895 -99.200 -91.000 PHE 37 1.000 -4.544 -35.714 0.952 -99.200 -91.000 TRP 47 1.040 1.164 -53.067 -0.150 -99.200 -91.000 TRP6 47 1.020 0.072 -52.809 1.933 -99.200 -91.000 HIS 53 0.900 2.405 -34.787 8.354 -99.200 -91.000 PHE 67 1.000 7.093 -32.086 -15.262 -99.200 -91.000 PHE 85 1.000 -3.100 -51.980 6.063 -99.200 -91.000 TYR 90 0.840 1.200 -39.226 13.781 -99.200 -91.000 PHE 110 1.000 5.657 -50.284 -10.159 -99.200 -91.000 PHE 126 1.000 20.809 -44.801 3.689 -99.200 -91.000 TRP 137 1.040 3.589 -31.840 -8.305 -99.200 -91.000 TRP6 137 1.020 3.576 -34.196 -8.056 -99.200 -91.000 TYR 142 0.840 5.073 -19.581 5.335 -99.200 -91.000 TYR 165 0.840 16.001 -23.852 14.598 -99.200 -91.000 TRP 166 1.040 14.246 -28.444 14.202 -99.200 -91.000 TRP6 166 1.020 12.392 -26.971 14.292 -99.200 -91.000 TRP 201 1.040 18.036 -42.166 -7.354 -99.200 -91.000 TRP6 201 1.020 19.052 -40.366 -6.202 -99.200 -91.000 TRP 209 1.040 8.568 -32.544 12.721 -99.200 -91.000 TRP6 209 1.020 9.890 -31.046 13.996 -99.200 -91.000 TYR 222 0.840 13.107 -34.366 5.187 -99.200 -91.000 TRP 231 1.040 4.089 -50.373 11.203 -99.200 -91.000 TRP6 231 1.020 3.488 -48.983 9.386 -99.200 -91.000