============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 12 1.000 35.629 47.770 14.785 -99.200 -91.000 TRP 13 1.040 29.171 45.367 11.399 -99.200 -91.000 TRP6 13 1.020 28.934 45.488 13.757 -99.200 -91.000 TRP 21 1.040 29.197 41.702 12.243 -99.200 -91.000 TRP6 21 1.020 28.486 40.776 10.166 -99.200 -91.000 PHE 22 1.000 24.653 38.518 14.330 -99.200 -91.000 PHE 28 1.000 33.138 44.062 18.050 -99.200 -91.000 HIS 31 0.900 39.149 47.404 18.391 -99.200 -91.000 PHE 32 1.000 30.888 49.506 16.800 -99.200 -91.000 HIS 33 0.900 32.912 54.568 24.045 -99.200 -91.000 PHE 36 1.000 35.005 53.174 13.814 -99.200 -91.000 HIS 40 0.900 25.993 57.256 18.402 -99.200 -91.000 PHE 41 1.000 27.843 61.121 21.611 -99.200 -91.000 TRP 51 1.040 29.634 59.877 5.836 -99.200 -91.000 TRP6 51 1.020 30.306 58.577 7.702 -99.200 -91.000 PHE 67 1.000 29.336 53.795 19.235 -99.200 -91.000 PHE 72 1.000 25.955 55.211 23.458 -99.200 -91.000 HIS 77 0.900 22.437 58.048 26.870 -99.200 -91.000 TYR 78 0.840 16.060 50.772 23.679 -99.200 -91.000 PHE 86 1.000 15.113 61.435 7.684 -99.200 -91.000 PHE 87 1.000 20.669 59.924 8.601 -99.200 -91.000 HIS 96 0.900 22.915 54.444 -1.392 -99.200 -91.000 PHE 107 1.000 24.770 44.236 10.193 -99.200 -91.000 PHE 108 1.000 22.157 49.775 3.759 -99.200 -91.000 TYR 109 0.840 16.942 45.042 4.236 -99.200 -91.000 PHE 112 1.000 13.086 50.309 7.863 -99.200 -91.000 HIS 114 0.900 17.419 46.880 16.238 -99.200 -91.000 TYR 135 0.840 21.080 38.059 9.171 -99.200 -91.000 HIS 137 0.900 13.082 32.601 14.349 -99.200 -91.000 HIS 138 0.900 16.645 35.943 15.762 -99.200 -91.000 HIS 142 0.900 13.458 41.597 17.035 -99.200 -91.000 PHE 149 1.000 2.585 42.238 24.628 -99.200 -91.000 PHE 152 1.000 10.396 45.378 19.992 -99.200 -91.000 HIS 154 0.900 12.761 40.854 27.440 -99.200 -91.000 TYR 170 0.840 6.311 39.097 25.616 -99.200 -91.000