============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. HIS 6 0.900 -10.450 41.890 62.556 -99.200 -91.000 PHE 7 1.000 -14.855 37.495 58.534 -99.200 -91.000 PHE 11 1.000 -20.187 34.374 77.849 -99.200 -91.000 PHE 14 1.000 -22.923 42.887 80.682 -99.200 -91.000 TYR 16 0.840 -26.996 43.935 84.614 -99.200 -91.000 PHE 17 1.000 -23.647 40.924 92.091 -99.200 -91.000 TYR 26 0.840 -25.489 34.649 84.809 -99.200 -91.000 TYR 30 0.840 -23.728 32.928 74.361 -99.200 -91.000 TYR 32 0.840 -20.467 37.314 63.021 -99.200 -91.000 TYR 37 0.840 -24.715 34.837 68.391 -99.200 -91.000 PHE 40 1.000 -30.268 32.417 81.665 -99.200 -91.000 TYR 47 0.840 -28.493 30.080 77.112 -99.200 -91.000 TYR 60 0.840 -26.559 21.859 71.130 -99.200 -91.000 TYR 61 0.840 -25.981 28.160 72.924 -99.200 -91.000 TYR 65 0.840 -24.560 24.606 76.197 -99.200 -91.000 TYR 79 0.840 -17.613 31.282 95.357 -99.200 -91.000 TYR 81 0.840 -22.116 41.796 96.186 -99.200 -91.000 HIS 109 0.900 -9.001 91.416 83.995 -99.200 -91.000 HIS 110 0.900 -17.321 87.238 83.151 -99.200 -91.000 PHE 120 1.000 -14.289 61.316 93.182 -99.200 -91.000 TYR 121 0.840 -13.880 52.455 93.652 -99.200 -91.000 TRP 129 1.040 -17.066 76.140 92.561 -99.200 -91.000 TRP6 129 1.020 -14.980 76.956 93.298 -99.200 -91.000 PHE 130 1.000 -21.127 76.625 100.124 -99.200 -91.000 TRP 151 1.040 -9.766 49.089 89.746 -99.200 -91.000 TRP6 151 1.020 -11.626 47.928 90.628 -99.200 -91.000 PHE 153 1.000 -15.243 56.408 89.582 -99.200 -91.000 TYR 169 0.840 -14.833 83.790 94.482 -99.200 -91.000 HIS 172 0.900 -19.032 71.750 102.297 -99.200 -91.000 HIS 175 0.900 -15.507 59.710 98.260 -99.200 -91.000 TRP 186 1.040 -7.983 81.038 94.174 -99.200 -91.000 TRP6 186 1.020 -8.632 83.198 93.477 -99.200 -91.000