============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 23 0.840 18.075 -10.988 31.483 -99.200 -91.000 TYR 26 0.840 26.441 -13.884 34.867 -99.200 -91.000 PHE 32 1.000 31.599 -10.622 39.568 -99.200 -91.000 HIS 51 0.900 18.175 -7.569 19.364 -99.200 -91.000 TRP 55 1.040 16.269 2.662 18.058 -99.200 -91.000 TRP6 55 1.020 18.181 4.029 17.759 -99.200 -91.000 PHE 62 1.000 19.858 5.282 10.159 -99.200 -91.000 HIS 68 0.900 29.245 6.889 2.647 -99.200 -91.000 HIS 72 0.900 30.165 9.402 8.908 -99.200 -91.000 TRP 78 1.040 30.138 2.040 17.769 -99.200 -91.000 TRP6 78 1.020 30.746 0.764 19.656 -99.200 -91.000 TRP 88 1.040 15.665 4.285 29.945 -99.200 -91.000 TRP6 88 1.020 14.250 6.019 30.708 -99.200 -91.000 HIS 93 0.900 18.416 -0.504 39.378 -99.200 -91.000 PHE 99 1.000 28.328 -2.120 33.329 -99.200 -91.000 PHE 120 1.000 31.066 1.523 37.466 -99.200 -91.000 PHE 130 1.000 19.738 10.903 31.077 -99.200 -91.000 PHE 140 1.000 16.566 6.030 26.471 -99.200 -91.000 TYR 154 0.840 27.170 19.517 12.109 -99.200 -91.000 PHE 156 1.000 26.767 12.379 6.402 -99.200 -91.000 HIS 169 0.900 15.271 13.124 5.137 -99.200 -91.000 HIS 171 0.900 21.766 19.915 9.748 -99.200 -91.000 HIS 183 0.900 2.710 17.282 21.365 -99.200 -91.000 HIS 196 0.900 11.258 28.534 25.138 -99.200 -91.000 HIS 208 0.900 28.088 17.045 30.504 -99.200 -91.000 HIS 211 0.900 34.727 14.181 28.324 -99.200 -91.000 HIS 219 0.900 40.370 -0.071 27.852 -99.200 -91.000 TYR 221 0.840 43.165 3.037 17.599 -99.200 -91.000 TYR 232 0.840 31.790 2.267 5.914 -99.200 -91.000 HIS 242 0.900 18.575 -11.206 1.839 -99.200 -91.000 HIS 245 0.900 15.815 -13.535 5.531 -99.200 -91.000