============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 5 0.900 -5.770 30.202 93.297 -99.200 -91.000 TYR 27 0.840 0.818 30.660 105.883 -99.200 -91.000 PHE 29 1.000 5.471 30.755 101.476 -99.200 -91.000 PHE 32 1.000 2.397 28.328 110.507 -99.200 -91.000 TRP 33 1.040 7.552 21.427 108.132 -99.200 -91.000 TRP6 33 1.020 9.171 20.392 106.769 -99.200 -91.000 TRP 36 1.040 3.787 20.315 97.498 -99.200 -91.000 TRP6 36 1.020 3.052 21.837 95.858 -99.200 -91.000 HIS 43 0.900 -6.332 5.051 91.574 -99.200 -91.000 TRP 47 1.040 2.058 13.812 102.518 -99.200 -91.000 TRP6 47 1.020 4.281 13.190 102.971 -99.200 -91.000 TYR 60 0.840 11.168 15.852 97.802 -99.200 -91.000 PHE 64 1.000 3.861 10.515 94.585 -99.200 -91.000 PHE 70 1.000 7.391 18.580 97.308 -99.200 -91.000 TYR 80 0.840 7.027 28.431 92.588 -99.200 -91.000 TYR 93 0.840 -0.575 16.159 90.639 -99.200 -91.000 TYR 94 0.840 -7.224 18.808 96.136 -99.200 -91.000 TYR 106 0.840 -5.496 26.475 108.076 -99.200 -91.000 TRP 107 1.040 -6.772 19.875 102.897 -99.200 -91.000 TRP6 107 1.020 -5.963 18.027 101.686 -99.200 -91.000 PHE 126 1.000 -22.433 26.326 69.862 -99.200 -91.000 TYR 149 0.840 -14.927 21.261 78.230 -99.200 -91.000 PHE 150 1.000 -7.623 16.940 75.548 -99.200 -91.000 TRP 158 1.040 -25.757 29.466 85.240 -99.200 -91.000 TRP6 158 1.020 -26.775 29.731 83.121 -99.200 -91.000 HIS 168 0.900 -29.811 20.391 89.267 -99.200 -91.000 PHE 170 1.000 -26.991 17.829 83.981 -99.200 -91.000 TYR 180 0.840 -13.170 15.354 78.793 -99.200 -91.000 TYR 198 0.840 -32.458 34.418 84.884 -99.200 -91.000 HIS 204 0.900 -10.390 24.780 78.370 -99.200 -91.000