============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 6 1.000 -7.328 18.011 28.987 -99.200 -91.000 PHE 8 1.000 -7.407 23.113 34.836 -99.200 -91.000 TRP 26 1.040 10.533 22.687 31.910 -99.200 -91.000 TRP6 26 1.020 9.200 23.833 30.328 -99.200 -91.000 TYR 48 0.840 -0.438 40.207 43.859 -99.200 -91.000 PHE 63 1.000 4.126 23.384 28.423 -99.200 -91.000 PHE 73 1.000 -0.628 22.524 44.922 -99.200 -91.000 PHE 78 1.000 7.256 28.709 51.329 -99.200 -91.000 TRP 85 1.040 11.188 18.256 43.388 -99.200 -91.000 TRP6 85 1.020 9.702 17.472 45.052 -99.200 -91.000 TYR 86 0.840 9.836 19.630 36.270 -99.200 -91.000 TRP 99 1.040 0.602 16.585 29.876 -99.200 -91.000 TRP6 99 1.020 0.678 18.000 27.977 -99.200 -91.000 PHE 102 1.000 -4.585 26.313 30.576 -99.200 -91.000 HIS 111 0.900 -7.456 38.287 29.515 -99.200 -91.000 HIS 140 0.900 -3.838 32.327 55.250 -99.200 -91.000 TYR 144 0.840 5.492 35.428 58.503 -99.200 -91.000 HIS 161 0.900 2.363 29.919 65.097 -99.200 -91.000 TYR 162 0.840 -7.714 27.251 62.853 -99.200 -91.000 TYR 163 0.840 -5.791 27.238 58.077 -99.200 -91.000 PHE 179 1.000 1.530 23.701 58.521 -99.200 -91.000