============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 39 0.840 65.786 64.938 -41.450 -99.200 -91.000 TYR 40 0.840 66.283 69.699 -40.778 -99.200 -91.000 PHE 41 1.000 64.623 72.106 -35.394 -99.200 -91.000 HIS 79 0.900 78.091 93.566 -24.228 -99.200 -91.000 TYR 87 0.840 68.009 91.689 -24.058 -99.200 -91.000 TYR 88 0.840 64.361 96.568 -33.428 -99.200 -91.000 TYR 90 0.840 67.542 87.410 -32.288 -99.200 -91.000 TYR 92 0.840 62.692 85.159 -29.551 -99.200 -91.000 TYR 115 0.840 73.812 78.181 -24.922 -99.200 -91.000 HIS 120 0.900 76.307 85.925 -15.538 -99.200 -91.000 TYR 123 0.840 78.051 92.083 -19.196 -99.200 -91.000 PHE 126 1.000 82.542 93.143 -22.886 -99.200 -91.000 PHE 136 1.000 84.744 100.820 -18.325 -99.200 -91.000 PHE 144 1.000 77.807 97.513 -16.279 -99.200 -91.000 TYR 145 0.840 74.082 89.212 -17.740 -99.200 -91.000 PHE 146 1.000 71.810 89.415 -13.238 -99.200 -91.000 PHE 155 1.000 61.479 101.894 -25.656 -99.200 -91.000 PHE 156 1.000 64.196 97.547 -27.716 -99.200 -91.000 HIS 164 0.900 46.875 94.672 -26.177 -99.200 -91.000 PHE 166 1.000 50.470 104.371 -22.186 -99.200 -91.000 TYR 179 0.840 65.508 101.791 -23.808 -99.200 -91.000 HIS 182 0.900 67.370 106.898 -21.687 -99.200 -91.000 PHE 186 1.000 71.111 106.367 -16.423 -99.200 -91.000 HIS 193 0.900 82.394 111.082 -13.484 -99.200 -91.000