============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. TYR 14 0.840 18.686 8.618 8.976 -99.200 -91.000 HIS 16 0.900 23.568 10.204 8.072 -99.200 -91.000 TYR 20 0.840 27.549 3.383 3.076 -99.200 -91.000 TYR 21 0.840 18.793 2.561 2.111 -99.200 -91.000 TYR 22 0.840 24.137 4.633 9.054 -99.200 -91.000 PHE 23 1.000 17.013 -3.567 10.728 -99.200 -91.000 TYR 30 0.840 11.523 -8.669 23.318 -99.200 -91.000 TRP 53 1.040 22.292 1.969 26.052 -99.200 -91.000 TRP6 53 1.020 20.470 0.707 26.830 -99.200 -91.000 HIS 56 0.900 21.446 1.750 32.524 -99.200 -91.000 TRP 65 1.040 9.920 -4.577 24.316 -99.200 -91.000 TRP6 65 1.020 7.767 -4.521 25.224 -99.200 -91.000 HIS 70 0.900 14.072 9.125 14.055 -99.200 -91.000 PHE 71 1.000 23.214 13.407 11.467 -99.200 -91.000 TRP 76 1.040 24.813 9.446 13.951 -99.200 -91.000 TRP6 76 1.020 23.666 8.423 12.155 -99.200 -91.000 TYR 77 0.840 19.685 13.478 19.180 -99.200 -91.000 TYR 79 0.840 14.285 10.082 19.739 -99.200 -91.000 PHE 80 1.000 16.880 3.107 24.929 -99.200 -91.000 PHE 93 1.000 5.526 -6.768 29.983 -99.200 -91.000 HIS 95 0.900 8.410 -1.701 28.267 -99.200 -91.000 PHE 97 1.000 14.450 5.225 29.872 -99.200 -91.000 PHE 107 1.000 27.690 1.041 12.795 -99.200 -91.000 TRP 111 1.040 25.943 5.187 20.404 -99.200 -91.000 TRP6 111 1.020 24.200 6.246 19.272 -99.200 -91.000 TRP 121 1.040 -0.281 9.969 31.461 -99.200 -91.000 TRP6 121 1.020 -0.950 11.437 29.701 -99.200 -91.000 PHE 124 1.000 3.072 -0.354 27.591 -99.200 -91.000 PHE 131 1.000 5.427 15.142 12.512 -99.200 -91.000 HIS 133 0.900 4.764 20.743 7.921 -99.200 -91.000 TYR 138 0.840 5.032 19.210 15.318 -99.200 -91.000 TYR 139 0.840 8.938 11.628 22.099 -99.200 -91.000 TRP 141 1.040 4.236 9.396 23.937 -99.200 -91.000 TRP6 141 1.020 3.873 11.703 23.613 -99.200 -91.000 HIS 151 0.900 -3.089 -3.807 27.268 -99.200 -91.000 TYR 155 0.840 -1.411 10.152 24.499 -99.200 -91.000 TRP 162 1.040 17.706 16.394 25.876 -99.200 -91.000 TRP6 162 1.020 19.136 17.146 24.180 -99.200 -91.000 TRP 177 1.040 -10.212 -1.845 12.140 -99.200 -91.000 TRP6 177 1.020 -8.307 -0.443 12.223 -99.200 -91.000 PHE 182 1.000 -3.510 -8.617 25.817 -99.200 -91.000 TRP 183 1.040 -10.187 -3.304 24.078 -99.200 -91.000 TRP6 183 1.020 -11.843 -1.639 23.858 -99.200 -91.000 PHE 198 1.000 -0.657 10.410 3.846 -99.200 -91.000 TYR 201 0.840 -3.422 3.644 14.526 -99.200 -91.000 TYR 210 0.840 1.219 -5.374 15.936 -99.200 -91.000 TRP 228 1.040 -3.485 14.848 13.528 -99.200 -91.000 TRP6 228 1.020 -1.749 14.116 12.143 -99.200 -91.000 PHE 236 1.000 1.201 -4.075 4.678 -99.200 -91.000 HIS 242 0.900 0.276 -19.772 3.624 -99.200 -91.000 TYR 244 0.840 -0.399 -16.402 8.537 -99.200 -91.000 HIS 248 0.900 7.005 -0.112 16.012 -99.200 -91.000 PHE 251 1.000 5.501 5.018 6.487 -99.200 -91.000 HIS 259 0.900 9.694 3.685 -7.166 -99.200 -91.000 TYR 264 0.840 5.589