============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. HIS 1 0.900 4.962 22.903 -22.093 -99.200 -91.000 TRP 20 1.040 8.786 28.104 -10.647 -99.200 -91.000 TRP6 20 1.020 8.511 26.943 -8.622 -99.200 -91.000 HIS 23 0.900 7.457 24.779 -18.190 -99.200 -91.000 PHE 37 1.000 -3.043 17.509 7.559 -99.200 -91.000 TYR 40 0.840 -7.531 16.462 10.021 -99.200 -91.000 HIS 42 0.900 -11.129 26.213 17.202 -99.200 -91.000 PHE 45 1.000 -2.407 25.047 10.281 -99.200 -91.000 TYR 64 0.840 2.700 23.632 7.953 -99.200 -91.000 TYR 68 0.840 -10.349 26.026 4.721 -99.200 -91.000 TRP 72 1.040 -13.369 14.311 13.829 -99.200 -91.000 TRP6 72 1.020 -11.731 14.864 12.219 -99.200 -91.000 TYR 93 0.840 4.867 27.377 5.135 -99.200 -91.000 TRP 94 1.040 1.783 34.019 -1.410 -99.200 -91.000 TRP6 94 1.020 2.464 32.734 -3.268 -99.200 -91.000 HIS 105 0.900 -9.516 14.072 5.967 -99.200 -91.000 PHE 111 1.000 -26.074 9.271 6.764 -99.200 -91.000 HIS 115 0.900 -22.812 9.255 11.188 -99.200 -91.000 PHE 116 1.000 -14.143 11.111 9.002 -99.200 -91.000 TYR 125 0.840 -21.883 10.388 -4.467 -99.200 -91.000 PHE 162 1.000 -10.516 23.191 -2.958 -99.200 -91.000 HIS 166 0.900 -8.763 13.248 1.068 -99.200 -91.000 TRP 172 1.040 -10.590 5.975 3.105 -99.200 -91.000 TRP6 172 1.020 -9.372 4.265 2.029 -99.200 -91.000 PHE 173 1.000 -11.793 10.171 3.334 -99.200 -91.000 TRP 174 1.040 -19.108 12.216 2.637 -99.200 -91.000 TRP6 174 1.020 -20.027 13.253 0.724 -99.200 -91.000 TRP 175 1.040 -14.789 11.689 -1.146 -99.200 -91.000 TRP6 175 1.020 -14.494 12.699 0.969 -99.200 -91.000 TYR 180 0.840 -9.868 -4.563 -0.860 -99.200 -91.000 TYR 191 0.840 -14.636 11.665 -7.272 -99.200 -91.000 TYR 195 0.840 -12.600 17.387 -9.376 -99.200 -91.000 TYR 199 0.840 -13.334 23.910 -12.353 -99.200 -91.000 HIS 200 0.900 -18.399 24.063 -13.951 -99.200 -91.000 TYR 201 0.840 -20.626 27.296 -3.970 -99.200 -91.000 HIS 210 0.900 -8.079 31.477 -4.142 -99.200 -91.000 TRP 213 1.040 -9.766 23.655 -9.152 -99.200 -91.000 TRP6 213 1.020 -11.624 23.061 -7.821 -99.200 -91.000 TYR 215 0.840 -8.210 11.760 -10.018 -99.200 -91.000 PHE 223 1.000 -11.971 -0.410 -9.554 -99.200 -91.000 PHE 227 1.000 -13.823 6.448 -8.319 -99.200 -91.000 TYR 228 0.840 -7.995 13.018 -15.420 -99.200 -91.000 TYR 233 0.840 -14.840 19.884 -15.121 -99.200 -91.000 TYR 242 0.840 -0.562 7.678 4.050 -99.200 -91.000 PHE 243 1.000 6.143 5.095 0.600 -99.200 -91.000 TYR 247 0.840 13.957 2.433 -4.414 -99.200 -91.000 TYR 252 0.840 6.127 8.217 -12.372 -99.200 -91.000 PHE 262 1.000 2.953 11.028 -9.517 -99.200 -91.000 PHE 264 1.000 4.919 9.484 -5.054 -99.200 -91.000 PHE 272 1.000 8.565 6.004 5.322 -99.200 -91.000 TYR 274 0.840 9.243 10.691 5.092 -99.200 -91.000 PHE 277 1.000 8.641 9.943 -1.189 -99.200 -91.000 TYR 285 0.840 7.933 6.047 -7.421 -99.200 -91.000 TYR 290 0.840 2.174 18.553 -4.246 -99.200 -91.000 PHE 291 1.000