============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 4 1.000 -11.472 25.785 33.720 -99.200 -91.000 PHE 6 1.000 -12.149 26.155 23.977 -99.200 -91.000 PHE 21 1.000 -10.492 24.382 -0.054 -99.200 -91.000 TYR 22 0.840 -6.876 30.464 5.036 -99.200 -91.000 PHE 28 1.000 1.424 26.789 11.783 -99.200 -91.000 TYR 45 0.840 6.874 49.361 29.921 -99.200 -91.000 HIS 61 0.900 15.383 31.780 24.023 -99.200 -91.000 PHE 102 1.000 -11.172 36.003 11.833 -99.200 -91.000 PHE 118 1.000 -10.574 41.185 12.490 -99.200 -91.000 PHE 122 1.000 -3.957 29.201 21.347 -99.200 -91.000 TYR 123 0.840 -8.700 30.947 20.433 -99.200 -91.000 TYR 126 0.840 -7.088 24.317 18.276 -99.200 -91.000 HIS 138 0.900 3.362 36.796 35.489 -99.200 -91.000 TYR 144 0.840 -1.136 27.434 36.933 -99.200 -91.000 TRP 146 1.040 -5.901 26.413 27.422 -99.200 -91.000 TRP6 146 1.020 -5.877 25.770 25.141 -99.200 -91.000 PHE 154 1.000 -10.493 26.354 28.758 -99.200 -91.000 HIS 173 0.900 0.209 17.391 21.004 -99.200 -91.000 TYR 181 0.840 2.466 24.013 7.555 -99.200 -91.000 HIS 194 0.900 3.639 34.917 6.016 -99.200 -91.000 PHE 197 1.000 10.886 44.069 8.278 -99.200 -91.000 TYR 200 0.840 11.935 40.087 21.482 -99.200 -91.000 PHE 205 1.000 16.045 24.231 19.658 -99.200 -91.000