============================================================================= 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 -40.271 20.539 4.735 -99.200 -91.000 PHE 7 1.000 -43.813 11.294 2.101 -99.200 -91.000 TRP 15 1.040 -36.565 13.803 3.426 -99.200 -91.000 TRP6 15 1.020 -38.559 12.966 2.462 -99.200 -91.000 TRP 18 1.040 -28.741 3.905 3.642 -99.200 -91.000 TRP6 18 1.020 -29.229 1.694 2.973 -99.200 -91.000 TRP 20 1.040 -38.408 6.843 7.822 -99.200 -91.000 TRP6 20 1.020 -39.317 8.070 6.003 -99.200 -91.000 TYR 35 0.840 -48.203 9.208 1.035 -99.200 -91.000 TYR 59 0.840 -35.051 12.582 -3.206 -99.200 -91.000 TYR 60 0.840 -37.887 9.107 -8.926 -99.200 -91.000 HIS 96 0.900 -29.828 -13.565 -26.846 -99.200 -91.000 HIS 108 0.900 -16.055 -12.876 -20.410 -99.200 -91.000 TYR 110 0.840 -19.738 -5.402 -24.431 -99.200 -91.000 TYR 123 0.840 -38.040 -2.850 -7.528 -99.200 -91.000 HIS 126 0.900 -37.037 3.772 -17.185 -99.200 -91.000 PHE 132 1.000 -31.552 -10.024 -11.213 -99.200 -91.000 TYR 149 0.840 -15.957 -16.639 -16.248 -99.200 -91.000 TYR 176 0.840 -16.909 -11.409 1.432 -99.200 -91.000 HIS 186 0.900 -7.318 -11.760 -13.690 -99.200 -91.000 TYR 214 0.840 -11.550 -1.802 -0.814 -99.200 -91.000 HIS 215 0.900 -10.888 5.857 -5.984 -99.200 -91.000 TRP 218 1.040 -13.303 4.681 -13.405 -99.200 -91.000 TRP6 218 1.020 -13.386 6.320 -15.113 -99.200 -91.000 HIS 222 0.900 -31.896 4.685 -15.120 -99.200 -91.000 PHE 223 1.000 -28.789 12.388 -11.702 -99.200 -91.000 HIS 225 0.900 -37.606 16.173 -16.771 -99.200 -91.000 HIS 262 0.900 -35.481 22.422 -28.030 -99.200 -91.000 TYR 278 0.840 -20.344 5.080 -20.164 -99.200 -91.000 TYR 279 0.840 -22.664 3.740 -23.220 -99.200 -91.000 TYR 281 0.840 -27.635 2.206 -22.110 -99.200 -91.000 HIS 291 0.900 -45.715 1.928 -21.838 -99.200 -91.000 PHE 292 1.000 -42.098 3.928 -20.088 -99.200 -91.000 HIS 309 0.900 -26.162 22.501 -32.332 -99.200 -91.000 TYR 313 0.840 -17.335 19.327 -20.447 -99.200 -91.000 PHE 318 1.000 -29.636 6.789 -30.183 -99.200 -91.000 TYR 334 0.840 -21.555 15.117 -37.205 -99.200 -91.000 HIS 340 0.900 -5.526 11.320 -54.782 -99.200 -91.000 PHE 348 1.000 -21.752 23.697 -34.456 -99.200 -91.000 TYR 355 0.840 -7.000 16.171 -42.034 -99.200 -91.000 TYR 361 0.840 -0.080 6.613 -42.368 -99.200 -91.000 HIS 377 0.900 -8.617 -13.227 -31.875 -99.200 -91.000