============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. PHE 5 1.000 2.699 49.764 1.962 -99.200 -91.000 HIS 28 0.900 2.309 44.366 20.104 -99.200 -91.000 TYR 56 0.840 11.219 27.342 -8.905 -99.200 -91.000 TYR 59 0.840 11.717 28.954 -3.701 -99.200 -91.000 TYR 64 0.840 7.930 40.238 -7.003 -99.200 -91.000 TRP 80 1.040 14.921 36.087 11.357 -99.200 -91.000 TRP6 80 1.020 17.149 36.360 12.175 -99.200 -91.000 TYR 86 0.840 17.618 35.747 0.189 -99.200 -91.000 PHE 92 1.000 18.355 21.302 -1.742 -99.200 -91.000 PHE 106 1.000 37.639 35.772 -11.036 -99.200 -91.000 HIS 122 0.900 17.000 35.764 -25.394 -99.200 -91.000 TYR 126 0.840 10.803 40.489 -33.141 -99.200 -91.000 PHE 128 1.000 20.337 44.481 -29.617 -99.200 -91.000 PHE 140 1.000 13.594 45.438 -24.586 -99.200 -91.000 HIS 143 0.900 8.021 41.674 -18.961 -99.200 -91.000 TRP 145 1.040 8.622 50.318 -14.048 -99.200 -91.000 TRP6 145 1.020 9.473 52.534 -13.906 -99.200 -91.000 PHE 146 1.000 7.536 44.566 -13.152 -99.200 -91.000 PHE 149 1.000 10.240 48.978 -9.933 -99.200 -91.000 TYR 152 0.840 16.630 53.613 -6.150 -99.200 -91.000 TYR 174 0.840 25.464 52.015 -9.791 -99.200 -91.000 TYR 176 0.840 26.105 63.122 -7.411 -99.200 -91.000 HIS 188 0.900 20.975 56.648 -14.959 -99.200 -91.000 PHE 205 1.000 9.242 55.501 -9.851 -99.200 -91.000 TYR 216 0.840 17.171 39.651 -13.774 -99.200 -91.000 PHE 224 1.000 23.489 44.291 -6.932 -99.200 -91.000 HIS 226 0.900 25.704 35.614 0.500 -99.200 -91.000 TRP 231 1.040 27.127 34.796 -2.842 -99.200 -91.000 TRP6 231 1.020 26.020 33.134 -4.111 -99.200 -91.000 PHE 236 1.000 28.398 48.096 -9.399 -99.200 -91.000 TYR 237 0.840 32.654 41.365 -14.702 -99.200 -91.000 HIS 243 0.900 21.326 50.132 -21.421 -99.200 -91.000 TYR 247 0.840 20.021 57.272 -28.371 -99.200 -91.000 TYR 262 0.840 17.056 53.325 -18.947 -99.200 -91.000 TYR 263 0.840 16.976 51.587 -23.547 -99.200 -91.000 HIS 266 0.900 21.901 53.717 -18.246 -99.200 -91.000 TRP 278 1.040 39.120 44.967 -12.751 -99.200 -91.000 TRP6 278 1.020 38.006 42.878 -12.977 -99.200 -91.000 PHE 290 1.000 35.823 38.203 -5.295 -99.200 -91.000 PHE 294 1.000 32.881 38.080 -9.878 -99.200 -91.000 HIS 301 0.900 22.507 38.349 -13.379 -99.200 -91.000 PHE 302 1.000 26.205 35.522 -17.563 -99.200 -91.000 TYR 308 0.840 13.172 39.203 -16.732 -99.200 -91.000 TYR 309 0.840 17.444 39.445 -20.852 -99.200 -91.000 TRP 313 1.040 11.934 34.916 -28.656 -99.200 -91.000 TRP6 313 1.020 11.465 36.591 -30.240 -99.200 -91.000