============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TRP 8 1.040 21.930 15.652 19.704 -99.200 -91.000 TRP6 8 1.020 20.716 14.239 21.161 -99.200 -91.000 TYR 18 0.840 2.551 10.634 11.247 -99.200 -91.000 TRP 25 1.040 18.604 8.098 23.832 -99.200 -91.000 TRP6 25 1.020 19.083 7.466 26.063 -99.200 -91.000 PHE 42 1.000 13.237 5.027 11.229 -99.200 -91.000 HIS 49 0.900 24.474 3.103 17.914 -99.200 -91.000 TYR 58 0.840 12.770 5.177 20.474 -99.200 -91.000 TYR 62 0.840 8.782 13.628 17.291 -99.200 -91.000 PHE 63 1.000 -0.206 12.963 15.823 -99.200 -91.000 HIS 66 0.900 11.871 13.204 21.391 -99.200 -91.000 TRP 67 1.040 13.682 16.168 25.870 -99.200 -91.000 TRP6 67 1.020 13.030 13.896 26.004 -99.200 -91.000 TRP 90 1.040 6.462 1.058 13.145 -99.200 -91.000 TRP6 90 1.020 7.730 -0.019 14.836 -99.200 -91.000 TRP 100 1.040 17.785 -5.586 17.302 -99.200 -91.000 TRP6 100 1.020 15.558 -6.169 16.749 -99.200 -91.000 TYR 104 0.840 3.822 2.339 18.403 -99.200 -91.000 TRP 107 1.040 8.744 10.407 25.746 -99.200 -91.000 TRP6 107 1.020 9.999 9.879 27.680 -99.200 -91.000 PHE 108 1.000 1.022 9.153 28.460 -99.200 -91.000 TYR 118 0.840 8.328 14.361 27.457 -99.200 -91.000 TRP 127 1.040 9.920 -2.817 25.177 -99.200 -91.000 TRP6 127 1.020 11.996 -3.824 25.708 -99.200 -91.000 TRP 130 1.040 12.129 -9.580 22.281 -99.200 -91.000 TRP6 130 1.020 9.802 -9.210 22.497 -99.200 -91.000 TRP 151 1.040 -0.229 -6.241 25.109 -99.200 -91.000 TRP6 151 1.020 1.105 -5.627 23.257 -99.200 -91.000 TRP 154 1.040 8.602 -6.257 31.770 -99.200 -91.000 TRP6 154 1.020 10.609 -7.125 32.667 -99.200 -91.000 TYR 155 0.840 6.010 1.733 38.329 -99.200 -91.000 TRP 158 1.040 13.838 4.266 36.491 -99.200 -91.000 TRP6 158 1.020 13.682 3.595 34.228 -99.200 -91.000 TRP 160 1.040 10.364 8.764 32.844 -99.200 -91.000 TRP6 160 1.020 12.560 9.611 32.682 -99.200 -91.000 TYR 162 0.840 10.542 1.615 31.312 -99.200 -91.000 TYR 165 0.840 1.245 -1.553 29.233 -99.200 -91.000 PHE 182 1.000 -1.277 -1.485 24.613 -99.200 -91.000 TYR 191 0.840 2.177 1.243 37.409 -99.200 -91.000 TRP 196 1.040 0.383 13.368 35.481 -99.200 -91.000 TRP6 196 1.020 1.777 11.482 35.806 -99.200 -91.000 TYR 197 0.840 -1.937 19.018 29.742 -99.200 -91.000 HIS 199 0.900 3.772 16.876 27.035 -99.200 -91.000 PHE 205 1.000 13.294 -0.289 14.382 -99.200 -91.000 TRP 208 1.040 20.367 -1.872 25.464 -99.200 -91.000 TRP6 208 1.020 18.079 -2.051 24.887 -99.200 -91.000 PHE 219 1.000 4.481 6.664 13.795 -99.200 -91.000