============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 19 1.000 -7.245 1.890 -14.287 -99.200 -91.000 PHE 44 1.000 12.174 11.405 -12.249 -99.200 -91.000 TRP 53 1.040 -8.901 3.930 -2.213 -99.200 -91.000 TRP6 53 1.020 -7.836 1.826 -2.221 -99.200 -91.000 HIS 54 0.900 -13.143 5.236 -9.287 -99.200 -91.000 HIS 58 0.900 -16.519 7.264 -8.951 -99.200 -91.000 PHE 61 1.000 -17.136 1.880 -10.551 -99.200 -91.000 HIS 65 0.900 -24.751 6.895 -13.928 -99.200 -91.000 PHE 71 1.000 -15.287 0.686 -22.279 -99.200 -91.000 TYR 78 0.840 -18.431 15.601 -12.946 -99.200 -91.000 TRP 84 1.040 -14.549 5.136 -17.218 -99.200 -91.000 TRP6 84 1.020 -13.153 4.952 -19.119 -99.200 -91.000 HIS 87 0.900 -12.651 2.033 -13.212 -99.200 -91.000 HIS 93 0.900 -5.653 -9.178 -7.620 -99.200 -91.000 PHE 97 1.000 0.155 1.299 -5.943 -99.200 -91.000 HIS 98 0.900 1.306 -5.880 -13.171 -99.200 -91.000 PHE 114 1.000 -10.713 10.689 -2.050 -99.200 -91.000 HIS 115 0.900 -14.393 13.610 -2.746 -99.200 -91.000 HIS 117 0.900 -23.147 11.290 -5.019 -99.200 -91.000 TYR 121 0.840 -11.399 10.186 -16.387 -99.200 -91.000 PHE 124 1.000 -0.924 17.690 -10.179 -99.200 -91.000 HIS 129 0.900 -14.450 20.906 -15.126 -99.200 -91.000 TYR 138 0.840 3.627 15.350 -1.223 -99.200 -91.000 TYR 148 0.840 10.867 14.780 -15.793 -99.200 -91.000 PHE 156 1.000 -10.035 8.469 -21.522 -99.200 -91.000 TRP 160 1.040 -8.651 14.170 -18.496 -99.200 -91.000 TRP6 160 1.020 -10.749 14.790 -17.578 -99.200 -91.000 PHE 170 1.000 3.307 21.536 -9.674 -99.200 -91.000 TRP 192 1.040 0.361 11.175 -27.252 -99.200 -91.000 TRP6 192 1.020 1.955 11.678 -25.581 -99.200 -91.000