============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 17 0.840 51.539 -25.585 14.309 -99.200 -91.000 PHE 22 1.000 52.171 -7.625 14.647 -99.200 -91.000 PHE 28 1.000 41.504 -9.174 26.550 -99.200 -91.000 PHE 32 1.000 53.530 -12.773 16.195 -99.200 -91.000 PHE 43 1.000 48.309 -24.521 9.360 -99.200 -91.000 HIS 57 0.900 32.399 -12.514 31.367 -99.200 -91.000 HIS 69 0.900 36.924 -20.371 13.963 -99.200 -91.000 HIS 74 0.900 29.880 -23.371 4.321 -99.200 -91.000 HIS 76 0.900 31.776 -19.485 0.514 -99.200 -91.000 PHE 80 1.000 39.955 -24.074 16.269 -99.200 -91.000 HIS 81 0.900 43.308 -25.754 9.257 -99.200 -91.000 PHE 83 1.000 42.156 -25.892 22.096 -99.200 -91.000 PHE 84 1.000 49.880 -25.051 20.168 -99.200 -91.000 PHE 89 1.000 52.998 -16.130 25.456 -99.200 -91.000 PHE 91 1.000 51.307 -20.667 22.147 -99.200 -91.000 HIS 106 0.900 34.859 0.754 3.052 -99.200 -91.000 TYR 119 0.840 33.100 -13.617 -5.779 -99.200 -91.000 TYR 120 0.840 34.072 -9.652 -2.710 -99.200 -91.000 TYR 130 0.840 28.794 -24.814 8.650 -99.200 -91.000 HIS 132 0.900 21.811 -17.188 11.152 -99.200 -91.000 HIS 138 0.900 30.694 -13.521 13.304 -99.200 -91.000 PHE 147 1.000 39.795 -12.445 8.763 -99.200 -91.000 PHE 159 1.000 32.963 -18.209 13.790 -99.200 -91.000 TYR 167 0.840 15.903 -22.016 25.485 -99.200 -91.000 TYR 181 0.840 28.790 -2.996 9.349 -99.200 -91.000 HIS 192 0.900 21.073 -10.514 21.326 -99.200 -91.000 PHE 194 1.000 19.349 -18.858 14.927 -99.200 -91.000 TRP 199 1.040 21.343 -4.189 11.934 -99.200 -91.000 TRP6 199 1.020 19.591 -2.639 11.644 -99.200 -91.000 TYR 206 0.840 23.700 2.470 3.192 -99.200 -91.000 PHE 215 1.000 21.377 2.614 10.542 -99.200 -91.000 TYR 224 0.840 26.205 2.098 19.813 -99.200 -91.000 TYR 232 0.840 18.207 2.570 6.158 -99.200 -91.000 HIS 237 0.900 24.638 6.300 -5.977 -99.200 -91.000 PHE 268 1.000 22.011 -7.394 -4.913 -99.200 -91.000 PHE 269 1.000 22.262 -12.340 -3.333 -99.200 -91.000 TYR 273 0.840 28.419 -11.529 -14.517 -99.200 -91.000 PHE 289 1.000 32.271 -7.970 -13.221 -99.200 -91.000