============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 27 1.000 34.855 41.698 53.546 -99.200 -91.000 PHE 29 1.000 30.635 42.258 57.930 -99.200 -91.000 TYR 32 0.840 37.012 46.724 53.519 -99.200 -91.000 TRP 36 1.040 21.400 44.145 52.718 -99.200 -91.000 TRP6 36 1.020 21.247 41.893 51.999 -99.200 -91.000 TRP 47 1.040 22.201 52.525 48.570 -99.200 -91.000 TRP6 47 1.020 21.319 54.477 49.569 -99.200 -91.000 TYR 57 0.840 28.062 58.100 61.310 -99.200 -91.000 TYR 59 0.840 24.856 57.073 55.737 -99.200 -91.000 TYR 60 0.840 17.844 52.460 56.420 -99.200 -91.000 PHE 68 1.000 12.942 47.073 52.406 -99.200 -91.000 TYR 80 0.840 22.064 39.386 60.690 -99.200 -91.000 TYR 93 0.840 15.429 43.047 47.910 -99.200 -91.000 TYR 94 0.840 22.451 41.221 42.575 -99.200 -91.000 HIS 98 0.900 28.895 51.197 50.177 -99.200 -91.000 TRP 103 1.040 28.157 57.623 52.001 -99.200 -91.000 TRP6 103 1.020 27.905 58.501 49.828 -99.200 -91.000 TYR 105 0.840 34.707 52.745 44.866 -99.200 -91.000 PHE 106 1.000 26.730 49.903 45.995 -99.200 -91.000 TYR 108 0.840 35.762 42.653 46.099 -99.200 -91.000 TRP 109 1.040 28.303 44.333 43.153 -99.200 -91.000 TRP6 109 1.020 26.205 45.390 42.911 -99.200 -91.000 TYR 128 0.840 -0.723 20.158 30.560 -99.200 -91.000 TYR 144 0.840 6.480 27.777 37.095 -99.200 -91.000 PHE 145 1.000 3.625 33.013 42.728 -99.200 -91.000 TRP 153 1.040 14.596 18.936 27.275 -99.200 -91.000 TRP6 153 1.020 12.505 18.185 26.464 -99.200 -91.000 HIS 163 0.900 17.281 27.326 21.596 -99.200 -91.000 PHE 165 1.000 11.627 29.120 23.957 -99.200 -91.000 TYR 174 0.840 6.223 33.387 37.878 -99.200 -91.000 TRP 187 1.040 10.999 11.021 19.888 -99.200 -91.000 TRP6 187 1.020 9.093 11.650 18.640 -99.200 -91.000 HIS 198 0.900 7.148 24.935 42.078 -99.200 -91.000