============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 1 0.900 -22.005 -4.965 -21.971 -99.200 -91.000 HIS 22 0.900 -35.651 9.827 20.656 -99.200 -91.000 HIS 23 0.900 -38.457 3.551 15.995 -99.200 -91.000 PHE 24 1.000 -32.939 7.294 14.335 -99.200 -91.000 PHE 35 1.000 -21.771 7.125 -14.931 -99.200 -91.000 PHE 53 1.000 -29.614 10.266 17.475 -99.200 -91.000 PHE 55 1.000 -29.726 14.461 10.802 -99.200 -91.000 PHE 65 1.000 -25.626 8.864 -6.194 -99.200 -91.000 TYR 68 0.840 -14.920 3.004 -7.849 -99.200 -91.000 HIS 71 0.900 -6.511 3.724 -12.438 -99.200 -91.000 TYR 75 0.840 -18.964 -5.667 -5.624 -99.200 -91.000 PHE 76 1.000 -19.199 0.076 -4.169 -99.200 -91.000 PHE 80 1.000 -27.485 -0.059 -8.321 -99.200 -91.000 TYR 84 0.840 -24.388 -1.009 -3.303 -99.200 -91.000 TRP 86 1.040 -24.382 0.612 2.453 -99.200 -91.000 TRP6 86 1.020 -24.782 1.331 4.674 -99.200 -91.000 PHE 92 1.000 -19.326 7.014 16.706 -99.200 -91.000 PHE 111 1.000 -28.831 4.793 -7.986 -99.200 -91.000 TYR 112 0.840 -37.374 3.951 -5.390 -99.200 -91.000 PHE 117 1.000 -26.833 5.026 12.802 -99.200 -91.000 HIS 118 0.900 -31.539 -0.789 15.233 -99.200 -91.000 PHE 122 1.000 -23.184 6.647 20.382 -99.200 -91.000 TRP 136 1.040 -19.394 12.108 10.050 -99.200 -91.000 TRP6 136 1.020 -18.299 10.654 11.564 -99.200 -91.000 TYR 144 0.840 -9.727 -4.938 3.671 -99.200 -91.000 HIS 165 0.900 -10.308 16.965 14.738 -99.200 -91.000 TYR 166 0.840 -16.958 10.749 19.650 -99.200 -91.000 TYR 174 0.840 -19.123 -0.955 0.616 -99.200 -91.000 TYR 186 0.840 -5.740 -1.763 -0.023 -99.200 -91.000 HIS 187 0.900 -11.166 0.442 -4.850 -99.200 -91.000 HIS 191 0.900 -16.148 8.044 1.035 -99.200 -91.000 HIS 198 0.900 -28.218 22.965 11.490 -99.200 -91.000 TYR 202 0.840 -28.401 19.714 13.406 -99.200 -91.000 TYR 208 0.840 -21.751 18.163 -2.225 -99.200 -91.000 HIS 210 0.900 -16.197 15.505 -4.960 -99.200 -91.000 HIS 214 0.900 -7.006 8.169 -3.951 -99.200 -91.000