============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 17 0.840 16.291 26.753 30.423 -99.200 -91.000 PHE 30 1.000 20.475 18.306 30.116 -99.200 -91.000 HIS 49 0.900 22.036 25.216 39.810 -99.200 -91.000 TYR 53 0.840 12.618 30.843 42.683 -99.200 -91.000 TYR 64 0.840 23.854 6.088 24.368 -99.200 -91.000 HIS 108 0.900 20.638 0.644 28.155 -99.200 -91.000 TYR 111 0.840 13.862 4.547 21.319 -99.200 -91.000 HIS 126 0.900 21.271 4.971 7.829 -99.200 -91.000 TYR 128 0.840 10.878 3.182 8.479 -99.200 -91.000 PHE 141 1.000 13.164 21.166 15.176 -99.200 -91.000 PHE 150 1.000 6.199 31.037 5.052 -99.200 -91.000 TYR 152 0.840 11.313 38.088 12.552 -99.200 -91.000 PHE 158 1.000 1.071 39.786 4.685 -99.200 -91.000 HIS 173 0.900 15.896 22.513 8.791 -99.200 -91.000 PHE 181 1.000 5.131 32.092 -0.155 -99.200 -91.000 PHE 193 1.000 1.432 35.414 0.325 -99.200 -91.000 TRP 221 1.040 18.029 32.341 21.818 -99.200 -91.000 TRP6 221 1.020 19.072 31.078 23.519 -99.200 -91.000 HIS 229 0.900 4.875 23.992 19.553 -99.200 -91.000 HIS 236 0.900 1.243 18.128 28.839 -99.200 -91.000 PHE 252 1.000 1.332 15.557 1.620 -99.200 -91.000 HIS 254 0.900 5.558 13.134 -3.727 -99.200 -91.000 PHE 259 1.000 8.500 15.029 1.208 -99.200 -91.000 TRP 276 1.040 -2.086 20.163 5.694 -99.200 -91.000 TRP6 276 1.020 -0.887 22.042 6.445 -99.200 -91.000 TYR 281 0.840 5.722 27.896 -6.151 -99.200 -91.000 TYR 297 0.840 18.302 6.253 3.105 -99.200 -91.000