============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. PHE 4 1.000 22.933 2.890 -19.518 -99.200 -91.000 TYR 5 0.840 16.593 6.900 -19.386 -99.200 -91.000 HIS 6 0.900 22.095 6.942 -14.390 -99.200 -91.000 PHE 9 1.000 25.551 6.697 -13.165 -99.200 -91.000 TRP 13 1.040 33.070 4.407 -18.830 -99.200 -91.000 TRP6 13 1.020 32.313 2.798 -17.292 -99.200 -91.000 TRP 14 1.040 27.258 3.447 -17.134 -99.200 -91.000 TRP6 14 1.020 26.694 1.965 -15.398 -99.200 -91.000 HIS 24 0.900 29.502 -14.871 -27.141 -99.200 -91.000 TRP 30 1.040 14.040 2.699 -24.981 -99.200 -91.000 TRP6 30 1.020 12.951 4.628 -24.194 -99.200 -91.000 TYR 40 0.840 19.320 -10.627 -20.048 -99.200 -91.000 TRP 44 1.040 18.692 6.061 -11.061 -99.200 -91.000 TRP6 44 1.020 18.295 4.705 -9.160 -99.200 -91.000 PHE 59 1.000 20.395 -7.593 -14.489 -99.200 -91.000 HIS 75 0.900 1.299 3.596 -15.534 -99.200 -91.000 PHE 85 1.000 17.955 -10.308 -11.154 -99.200 -91.000 TYR 97 0.840 25.501 11.608 4.993 -99.200 -91.000 HIS 104 0.900 29.308 17.810 13.285 -99.200 -91.000 TRP 105 1.040 24.016 15.288 15.198 -99.200 -91.000 TRP6 105 1.020 23.050 13.591 13.862 -99.200 -91.000 PHE 106 1.000 30.415 10.227 22.107 -99.200 -91.000 PHE 109 1.000 33.427 17.979 16.757 -99.200 -91.000 TYR 112 0.840 31.701 22.237 22.028 -99.200 -91.000 TRP 121 1.040 36.061 29.337 26.181 -99.200 -91.000 TRP6 121 1.020 37.703 28.895 24.548 -99.200 -91.000 TYR 127 0.840 25.476 14.809 24.625 -99.200 -91.000 PHE 132 1.000 25.260 10.645 20.940 -99.200 -91.000 TRP 152 1.040 34.327 4.862 15.460 -99.200 -91.000 TRP6 152 1.020 36.120 6.283 16.036 -99.200 -91.000 PHE 154 1.000 29.306 6.355 19.270 -99.200 -91.000 TRP 159 1.040 11.872 -2.141 13.567 -99.200 -91.000 TRP6 159 1.020 10.652 -1.079 11.862 -99.200 -91.000 TRP 166 1.040 23.778 -8.202 11.592 -99.200 -91.000 TRP6 166 1.020 22.818 -6.161 10.916 -99.200 -91.000 TYR 172 0.840 15.342 -3.547 20.006 -99.200 -91.000 PHE 181 1.000 15.321 0.671 16.156 -99.200 -91.000 TYR 215 0.840 21.738 14.210 18.440 -99.200 -91.000 HIS 224 0.900 11.640 5.427 3.897 -99.200 -91.000 PHE 246 1.000 16.259 17.121 1.787 -99.200 -91.000 TRP 258 1.040 15.574 25.041 1.423 -99.200 -91.000 TRP6 258 1.020 17.552 24.217 0.431 -99.200 -91.000 HIS 260 0.900 15.059 23.955 13.223 -99.200 -91.000 HIS 267 0.900 18.605 10.803 -3.459 -99.200 -91.000 TYR 280 0.840 24.125 -7.883 -9.321 -99.200 -91.000 TYR 304 0.840 12.108 -5.601 1.791 -99.200 -91.000