============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 86 rings ring int. center anis. iso. TRP 4 1.040 66.282 27.001 21.285 -99.200 -91.000 TRP6 4 1.020 65.887 25.059 19.990 -99.200 -91.000 HIS 18 0.900 47.603 44.051 15.657 -99.200 -91.000 PHE 24 1.000 55.041 46.888 25.065 -99.200 -91.000 TYR 25 0.840 54.824 54.080 27.824 -99.200 -91.000 HIS 28 0.900 60.313 48.194 38.076 -99.200 -91.000 PHE 45 1.000 61.324 46.479 33.566 -99.200 -91.000 TYR 48 0.840 65.170 41.066 26.764 -99.200 -91.000 HIS 49 0.900 60.425 50.100 23.699 -99.200 -91.000 TYR 51 0.840 68.127 42.669 22.748 -99.200 -91.000 PHE 53 1.000 58.115 47.755 20.281 -99.200 -91.000 PHE 73 1.000 77.843 39.837 41.850 -99.200 -91.000 TYR 82 0.840 59.099 32.981 32.184 -99.200 -91.000 TRP 99 1.040 68.015 35.958 40.408 -99.200 -91.000 TRP6 99 1.020 69.751 37.403 39.664 -99.200 -91.000 PHE 108 1.000 55.933 40.992 25.728 -99.200 -91.000 TYR 113 0.840 53.420 37.501 14.954 -99.200 -91.000 TYR 117 0.840 49.387 43.940 4.683 -99.200 -91.000 PHE 120 1.000 57.205 46.488 15.541 -99.200 -91.000 PHE 133 1.000 68.384 18.592 33.956 -99.200 -91.000 HIS 135 0.900 76.735 24.600 36.333 -99.200 -91.000 HIS 145 0.900 93.730 30.199 19.446 -99.200 -91.000 TYR 146 0.840 93.148 38.671 25.448 -99.200 -91.000 PHE 161 1.000 70.268 37.917 22.557 -99.200 -91.000 PHE 164 1.000 73.598 27.395 26.994 -99.200 -91.000 HIS 168 0.900 84.018 25.442 33.332 -99.200 -91.000 TRP 169 1.040 87.258 33.621 31.538 -99.200 -91.000 TRP6 169 1.020 87.061 35.862 32.316 -99.200 -91.000 HIS 170 0.900 90.490 25.645 31.260 -99.200 -91.000 PHE 177 1.000 97.977 32.835 35.462 -99.200 -91.000 TYR 179 0.840 93.224 36.602 37.704 -99.200 -91.000 PHE 184 1.000 101.217 35.100 44.490 -99.200 -91.000 TYR 193 0.840 99.031 32.954 23.805 -99.200 -91.000 HIS 197 0.900 97.522 39.048 22.672 -99.200 -91.000 TYR 199 0.840 90.826 37.830 29.391 -99.200 -91.000 TYR 210 0.840 77.394 42.831 28.686 -99.200 -91.000 PHE 222 1.000 92.089 31.706 38.096 -99.200 -91.000 HIS 227 0.900 95.197 20.763 30.841 -99.200 -91.000 TRP 231 1.040 98.898 28.171 36.316 -99.200 -91.000 TRP6 231 1.020 97.695 28.441 38.339 -99.200 -91.000 TYR 243 0.840 115.650 16.606 37.945 -99.200 -91.000 PHE 249 1.000 110.989 23.643 34.691 -99.200 -91.000 TYR 260 0.840 100.142 21.879 49.089 -99.200 -91.000 PHE 262 1.000 101.039 30.612 43.230 -99.200 -91.000 PHE 266 1.000 95.895 32.469 41.524 -99.200 -91.000 PHE 267 1.000 92.789 28.420 43.853 -99.200 -91.000 PHE 274 1.000 86.911 35.392 38.710 -99.200 -91.000 PHE 278 1.000 79.281 25.671 44.221 -99.200 -91.000 HIS 280 0.900 86.006 22.990 37.055 -99.200 -91.000 PHE 288 1.000 99.007 10.279 38.308 -99.200 -91.000 TRP 291 1.040 103.782 15.340 40.266 -99.200 -91.000 TRP6 291 1.020 101.541 14.941 40.911 -99.200 -91.000 PHE 300 1.000 105.251 14.681 50.185 -99.200 -91.000 PHE 306 1.000 100.892 9.608 49.796 -99.200 -91.000 PHE 310 1.000