============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. HIS 3 0.900 32.551 6.538 -20.174 -99.200 -91.000 TYR 6 0.840 26.268 -1.875 -18.181 -99.200 -91.000 PHE 8 1.000 21.085 -7.459 -17.260 -99.200 -91.000 TYR 46 0.840 29.237 -10.352 -12.797 -99.200 -91.000 HIS 53 0.900 32.241 9.245 -8.378 -99.200 -91.000 TRP 58 1.040 17.125 2.597 -5.111 -99.200 -91.000 TRP6 58 1.020 18.867 3.667 -6.313 -99.200 -91.000 HIS 68 0.900 21.187 -4.466 2.628 -99.200 -91.000 TYR 76 0.840 30.994 -7.450 -4.829 -99.200 -91.000 TYR 90 0.840 -0.585 -12.856 3.187 -99.200 -91.000 HIS 102 0.900 15.553 2.113 -9.765 -99.200 -91.000 PHE 106 1.000 27.676 5.975 -2.617 -99.200 -91.000 TYR 108 0.840 33.803 6.190 -0.874 -99.200 -91.000 HIS 117 0.900 39.262 3.550 9.206 -99.200 -91.000 TYR 120 0.840 40.302 -7.969 3.249 -99.200 -91.000 PHE 137 1.000 11.527 -10.967 21.723 -99.200 -91.000 HIS 139 0.900 6.860 -11.037 9.876 -99.200 -91.000 HIS 155 0.900 32.522 21.656 1.253 -99.200 -91.000 HIS 156 0.900 32.345 14.507 1.528 -99.200 -91.000 PHE 161 1.000 23.123 4.103 2.955 -99.200 -91.000 TRP 178 1.040 24.872 10.038 13.679 -99.200 -91.000 TRP6 178 1.020 26.381 8.250 14.050 -99.200 -91.000 PHE 190 1.000 11.462 -6.979 6.936 -99.200 -91.000 PHE 196 1.000 17.852 -13.785 22.142 -99.200 -91.000 TYR 200 0.840 31.296 -3.398 23.849 -99.200 -91.000 PHE 203 1.000 23.614 -0.797 15.199 -99.200 -91.000 TYR 208 0.840 31.566 10.643 7.636 -99.200 -91.000 HIS 210 0.900 29.906 16.664 -2.462 -99.200 -91.000 HIS 212 0.900 25.138 16.772 -6.856 -99.200 -91.000 HIS 213 0.900 26.351 12.123 -4.629 -99.200 -91.000 PHE 217 1.000 14.613 21.671 -5.041 -99.200 -91.000 TYR 218 0.840 9.855 13.703 -4.058 -99.200 -91.000 HIS 221 0.900 18.381 14.386 -13.763 -99.200 -91.000 PHE 233 1.000 21.863 7.904 -4.112 -99.200 -91.000 TRP 235 1.040 21.233 8.977 -10.260 -99.200 -91.000 TRP6 235 1.020 19.015 8.655 -9.497 -99.200 -91.000 PHE 240 1.000 25.265 2.756 -14.947 -99.200 -91.000