============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. PHE 15 1.000 63.295 40.470 72.628 -99.200 -91.000 PHE 21 1.000 77.036 42.372 66.625 -99.200 -91.000 TYR 25 0.840 73.007 47.814 53.971 -99.200 -91.000 HIS 34 0.900 62.851 47.883 70.036 -99.200 -91.000 PHE 41 1.000 56.598 33.933 72.594 -99.200 -91.000 HIS 42 0.900 52.075 27.448 74.521 -99.200 -91.000 PHE 53 1.000 49.309 25.673 53.082 -99.200 -91.000 PHE 56 1.000 44.640 25.960 55.613 -99.200 -91.000 HIS 62 0.900 43.633 28.965 51.917 -99.200 -91.000 PHE 69 1.000 49.336 37.425 39.926 -99.200 -91.000 PHE 75 1.000 67.816 31.895 42.216 -99.200 -91.000 HIS 76 0.900 68.874 32.016 37.595 -99.200 -91.000 TRP 95 1.040 67.430 37.360 41.823 -99.200 -91.000 TRP6 95 1.020 68.640 39.353 41.400 -99.200 -91.000 TRP 96 1.040 63.225 36.333 43.333 -99.200 -91.000 TRP6 96 1.020 62.568 34.258 44.278 -99.200 -91.000 HIS 103 0.900 49.903 24.721 42.930 -99.200 -91.000 TRP 104 1.040 49.584 24.281 48.299 -99.200 -91.000 TRP6 104 1.020 49.529 22.071 49.144 -99.200 -91.000 HIS 120 0.900 62.695 19.734 51.585 -99.200 -91.000 HIS 124 0.900 55.947 29.145 44.897 -99.200 -91.000 TRP 127 1.040 50.436 38.449 57.066 -99.200 -91.000 TRP6 127 1.020 48.214 39.059 57.607 -99.200 -91.000 TYR 133 0.840 48.803 25.375 58.997 -99.200 -91.000 TRP 136 1.040 41.826 23.628 59.511 -99.200 -91.000 TRP6 136 1.020 43.678 22.156 59.611 -99.200 -91.000 TRP 147 1.040 60.496 34.730 63.374 -99.200 -91.000 TRP6 147 1.020 62.800 35.136 62.993 -99.200 -91.000 TYR 149 0.840 61.856 35.409 74.469 -99.200 -91.000 TYR 160 0.840 75.343 35.452 61.915 -99.200 -91.000 TRP 162 1.040 75.206 30.433 64.764 -99.200 -91.000 TRP6 162 1.020 73.560 30.421 63.067 -99.200 -91.000 TRP 172 1.040 78.550 26.399 55.348 -99.200 -91.000 TRP6 172 1.020 77.939 28.676 55.143 -99.200 -91.000 TRP 177 1.040 74.228 31.714 46.173 -99.200 -91.000 TRP6 177 1.020 72.589 31.140 44.573 -99.200 -91.000 PHE 181 1.000 71.444 35.990 44.310 -99.200 -91.000 HIS 183 0.900 74.671 34.715 36.869 -99.200 -91.000 HIS 191 0.900 69.973 20.728 52.842 -99.200 -91.000 TYR 200 0.840 71.786 23.511 58.070 -99.200 -91.000 HIS 205 0.900 64.464 30.935 73.571 -99.200 -91.000 TRP 208 1.040 64.372 21.816 65.308 -99.200 -91.000 TRP6 208 1.020 66.126 20.254 65.151 -99.200 -91.000 TRP 215 1.040 62.997 35.998 52.869 -99.200 -91.000 TRP6 215 1.020 63.883 37.688 54.268 -99.200 -91.000 TRP 217 1.040 54.094 35.350 54.660 -99.200 -91.000 TRP6 217 1.020 54.049 37.564 53.824 -99.200 -91.000 TRP 221 1.040 49.307 46.477 59.009 -99.200 -91.000 TRP6 221 1.020 49.097 45.773 56.750 -99.200 -91.000 PHE 222 1.000 59.638 47.367 57.333 -99.200 -91.000 TYR 226 0.840 56.134 48.984 66.332 -99.200 -91.000 TYR 227 0.840 63.052 47.150 65.538 -99.200 -91.000 HIS 236 0.900 50.085 42.400 69.588 -99.200 -91.000 TYR 251 0.840 65.875 28.362 48.309 -99.200 -91.000 HIS 254 0.900