============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TYR 4 0.840 -5.830 4.460 -94.310 -99.200 -91.000 PHE 7 1.000 -1.552 -2.967 -88.777 -99.200 -91.000 TRP 15 1.040 -8.993 -1.620 -90.765 -99.200 -91.000 TRP6 15 1.020 -6.968 -1.964 -89.579 -99.200 -91.000 TRP 18 1.040 -15.961 -11.620 -87.462 -99.200 -91.000 TRP6 18 1.020 -15.329 -13.396 -86.047 -99.200 -91.000 TRP 20 1.040 -6.547 -9.533 -92.491 -99.200 -91.000 TRP6 20 1.020 -5.774 -7.673 -91.237 -99.200 -91.000 TYR 35 0.840 2.890 -4.169 -87.090 -99.200 -91.000 TYR 59 0.840 -10.495 -0.627 -84.044 -99.200 -91.000 TYR 60 0.840 -7.480 -1.710 -77.552 -99.200 -91.000 HIS 96 0.900 -13.923 -17.483 -52.873 -99.200 -91.000 HIS 108 0.900 -27.626 -20.138 -58.917 -99.200 -91.000 TYR 110 0.840 -24.594 -11.504 -57.754 -99.200 -91.000 TYR 123 0.840 -6.314 -13.388 -74.831 -99.200 -91.000 HIS 126 0.900 -8.067 -3.993 -67.974 -99.200 -91.000 PHE 132 1.000 -12.296 -19.365 -68.841 -99.200 -91.000 TYR 149 0.840 -27.377 -25.086 -61.609 -99.200 -91.000 TYR 176 0.840 -26.555 -26.199 -80.010 -99.200 -91.000 HIS 186 0.900 -36.316 -22.173 -65.566 -99.200 -91.000 TYR 214 0.840 -32.676 -16.865 -81.086 -99.200 -91.000 HIS 215 0.900 -34.015 -7.972 -78.825 -99.200 -91.000 TRP 218 1.040 -31.681 -6.360 -71.520 -99.200 -91.000 TRP6 218 1.020 -31.767 -4.301 -70.416 -99.200 -91.000 HIS 222 0.900 -13.203 -4.283 -70.141 -99.200 -91.000 PHE 223 1.000 -16.853 1.525 -75.961 -99.200 -91.000 HIS 225 0.900 -8.489 7.562 -72.552 -99.200 -91.000 HIS 262 0.900 -11.229 17.048 -64.162 -99.200 -91.000 TYR 278 0.840 -24.814 -3.130 -65.442 -99.200 -91.000 TYR 279 0.840 -22.429 -3.116 -62.093 -99.200 -91.000 TYR 281 0.840 -17.277 -4.565 -62.626 -99.200 -91.000 HIS 291 0.900 0.748 -3.427 -63.071 -99.200 -91.000 PHE 292 1.000 -3.071 -2.412 -65.416 -99.200 -91.000 HIS 309 0.900 -20.639 17.831 -60.003 -99.200 -91.000 TYR 313 0.840 -28.971 10.106 -69.986 -99.200 -91.000 PHE 318 1.000 -15.904 2.725 -56.654 -99.200 -91.000 TYR 334 0.840 -24.735 12.199 -52.854 -99.200 -91.000 HIS 340 0.900 -40.647 13.379 -34.802 -99.200 -91.000 PHE 348 1.000 -25.184 19.215 -58.347 -99.200 -91.000 TYR 355 0.840 -39.349 13.680 -48.495 -99.200 -91.000 TYR 361 0.840 -45.493 4.232 -44.761 -99.200 -91.000 HIS 377 0.900 -35.229 -17.213 -47.965 -99.200 -91.000