============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TRP 7 1.040 18.895 16.036 -6.819 -99.200 -91.000 TRP6 7 1.020 17.788 14.150 -7.590 -99.200 -91.000 PHE 11 1.000 19.247 13.955 1.835 -99.200 -91.000 PHE 20 1.000 13.613 12.635 -3.766 -99.200 -91.000 TYR 42 0.840 18.090 2.367 5.853 -99.200 -91.000 PHE 48 1.000 4.115 -5.223 5.033 -99.200 -91.000 HIS 66 0.900 -17.367 2.237 -1.023 -99.200 -91.000 PHE 69 1.000 -10.510 -1.691 8.039 -99.200 -91.000 TRP 76 1.040 -3.704 4.055 17.405 -99.200 -91.000 TRP6 76 1.020 -1.999 3.098 18.755 -99.200 -91.000 PHE 94 1.000 -3.377 -1.060 7.344 -99.200 -91.000 TYR 109 0.840 -1.152 -12.569 -1.912 -99.200 -91.000 PHE 113 1.000 2.166 -7.888 -3.506 -99.200 -91.000 TYR 115 0.840 7.524 -4.420 0.637 -99.200 -91.000 PHE 127 1.000 5.407 -8.746 8.566 -99.200 -91.000 TRP 128 1.040 4.358 -3.213 9.918 -99.200 -91.000 TRP6 128 1.020 2.865 -5.008 10.346 -99.200 -91.000 PHE 143 1.000 4.672 -2.605 -3.430 -99.200 -91.000 TYR 148 0.840 1.443 5.394 -13.061 -99.200 -91.000 TYR 174 0.840 1.934 18.413 -8.551 -99.200 -91.000 HIS 177 0.900 -2.367 8.144 -6.544 -99.200 -91.000 PHE 182 1.000 9.405 8.725 13.549 -99.200 -91.000 TRP 195 1.040 10.954 3.936 4.965 -99.200 -91.000 TRP6 195 1.020 12.083 3.312 3.002 -99.200 -91.000 TRP 196 1.040 5.979 11.692 1.581 -99.200 -91.000 TRP6 196 1.020 6.284 13.755 0.417 -99.200 -91.000 TRP 199 1.040 1.734 7.444 -8.495 -99.200 -91.000 TRP6 199 1.020 1.389 5.494 -7.341 -99.200 -91.000 TYR 207 0.840 8.588 13.983 -12.880 -99.200 -91.000 PHE 208 1.000 6.488 5.545 -11.017 -99.200 -91.000 PHE 209 1.000 7.488 10.921 -3.487 -99.200 -91.000 PHE 211 1.000 13.941 11.925 2.859 -99.200 -91.000