============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. HIS 3 0.900 29.936 -12.980 29.279 -99.200 -91.000 TYR 7 0.840 38.322 -0.121 34.086 -99.200 -91.000 PHE 8 1.000 42.241 -1.395 25.562 -99.200 -91.000 TYR 22 0.840 44.584 8.476 33.527 -99.200 -91.000 TYR 27 0.840 37.118 -0.151 25.648 -99.200 -91.000 PHE 33 1.000 32.532 -0.683 32.404 -99.200 -91.000 PHE 36 1.000 39.647 11.215 35.294 -99.200 -91.000 TYR 45 0.840 37.032 5.924 35.525 -99.200 -91.000 TRP 51 1.040 25.543 -1.563 30.609 -99.200 -91.000 TRP6 51 1.020 27.116 -2.271 32.224 -99.200 -91.000 TYR 59 0.840 31.057 2.159 39.868 -99.200 -91.000 TRP 60 1.040 28.746 6.857 39.046 -99.200 -91.000 TRP6 60 1.020 29.636 5.872 37.072 -99.200 -91.000 TRP 73 1.040 51.790 4.115 38.748 -99.200 -91.000 TRP6 73 1.020 52.250 3.324 36.574 -99.200 -91.000 PHE 74 1.000 49.042 5.635 33.020 -99.200 -91.000 TYR 84 0.840 63.423 4.601 34.147 -99.200 -91.000 TYR 85 0.840 63.045 4.162 26.707 -99.200 -91.000 HIS 93 0.900 58.655 12.103 25.032 -99.200 -91.000 TRP 107 1.040 29.253 -16.007 33.668 -99.200 -91.000 TRP6 107 1.020 28.039 -14.292 34.755 -99.200 -91.000 TYR 113 0.840 44.557 -10.774 28.263 -99.200 -91.000 PHE 116 1.000 51.792 -0.779 32.874 -99.200 -91.000 TYR 118 0.840 58.145 6.556 26.894 -99.200 -91.000 TYR 123 0.840 59.099 0.670 29.948 -99.200 -91.000 TRP 133 1.040 56.884 -8.032 36.585 -99.200 -91.000 TRP6 133 1.020 54.890 -6.814 36.205 -99.200 -91.000 TRP 147 1.040 57.281 -1.926 38.373 -99.200 -91.000 TRP6 147 1.020 55.652 -2.027 36.694 -99.200 -91.000 HIS 155 0.900 48.395 -3.384 43.609 -99.200 -91.000 TYR 156 0.840 50.195 -3.954 38.701 -99.200 -91.000 TYR 159 0.840 41.958 -4.935 38.769 -99.200 -91.000 TRP 167 1.040 33.856 -4.707 42.026 -99.200 -91.000 TRP6 167 1.020 32.185 -3.087 42.394 -99.200 -91.000 HIS 169 0.900 31.792 -13.737 38.481 -99.200 -91.000 TYR 171 0.840 31.265 -3.358 36.444 -99.200 -91.000 HIS 188 0.900 24.164 -5.317 -0.751 -99.200 -91.000 HIS 191 0.900 28.074 -7.149 -13.124 -99.200 -91.000 HIS 192 0.900 30.202 -2.007 -8.571 -99.200 -91.000 TRP 204 1.040 28.553 -4.008 -1.129 -99.200 -91.000 TRP6 204 1.020 29.469 -2.044 -0.209 -99.200 -91.000 PHE 208 1.000 29.608 -6.911 10.022 -99.200 -91.000 TYR 209 0.840 28.509 -5.449 19.015 -99.200 -91.000 TRP 217 1.040 34.025 -12.751 -3.635 -99.200 -91.000 TRP6 217 1.020 31.965 -13.014 -4.786 -99.200 -91.000 PHE 241 1.000 32.100 -2.464 14.311 -99.200 -91.000 TRP 244 1.040 33.951 -2.850 -0.022 -99.200 -91.000 TRP6 244 1.020 35.764 -3.325 -1.475 -99.200 -91.000 TYR 257 0.840 33.970 -16.327 -10.552 -99.200 -91.000 TYR 262 0.840 32.727 -18.750 6.187 -99.200 -91.000 HIS 263 0.900 28.526 -11.509 12.905 -99.200 -91.000 TRP 274 1.040 25.184 -10.063 -11.188 -99.200 -91.000 TRP6 274 1.020 24.248 -8.091 -10.258 -99.200 -91.000