============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 8 1.000 27.288 35.247 -12.700 -99.200 -91.000 TRP 15 1.040 22.851 21.272 -3.813 -99.200 -91.000 TRP6 15 1.020 21.053 19.713 -3.848 -99.200 -91.000 HIS 16 0.900 27.645 24.824 -3.031 -99.200 -91.000 TYR 24 0.840 37.890 17.455 5.786 -99.200 -91.000 PHE 51 1.000 41.618 31.156 -16.808 -99.200 -91.000 HIS 53 0.900 42.114 35.254 -26.450 -99.200 -91.000 PHE 56 1.000 43.609 25.806 -22.548 -99.200 -91.000 HIS 59 0.900 49.484 14.443 -26.479 -99.200 -91.000 HIS 61 0.900 42.836 16.638 -24.458 -99.200 -91.000 PHE 67 1.000 55.049 12.243 -14.604 -99.200 -91.000 TYR 88 0.840 18.392 31.175 -14.976 -99.200 -91.000 TRP 100 1.040 44.138 18.002 -7.283 -99.200 -91.000 TRP6 100 1.020 42.689 19.867 -7.566 -99.200 -91.000 HIS 110 0.900 52.439 17.417 -1.865 -99.200 -91.000 TYR 115 0.840 48.435 3.882 0.533 -99.200 -91.000 PHE 123 1.000 47.718 9.071 -13.625 -99.200 -91.000 TYR 135 0.840 28.396 18.031 -24.789 -99.200 -91.000 TYR 136 0.840 34.030 17.667 -18.147 -99.200 -91.000 PHE 138 1.000 39.727 16.912 -17.859 -99.200 -91.000 TYR 146 0.840 43.853 9.868 -1.163 -99.200 -91.000 TRP 148 1.040 40.976 10.201 4.812 -99.200 -91.000 TRP6 148 1.020 40.026 12.229 5.584 -99.200 -91.000 TRP 155 1.040 40.810 2.554 4.139 -99.200 -91.000 TRP6 155 1.020 42.623 1.986 2.719 -99.200 -91.000 HIS 159 0.900 39.554 11.487 -3.971 -99.200 -91.000 HIS 161 0.900 40.898 16.310 -4.911 -99.200 -91.000 PHE 162 1.000 36.362 16.873 -12.951 -99.200 -91.000 TYR 178 0.840 33.480 11.765 -3.973 -99.200 -91.000 PHE 179 1.000 35.764 7.286 -10.932 -99.200 -91.000 TYR 220 0.840 33.064 5.316 -14.599 -99.200 -91.000 PHE 222 1.000 31.462 15.551 -11.915 -99.200 -91.000 HIS 233 0.900 15.378 41.398 -13.457 -99.200 -91.000 PHE 234 1.000 11.938 45.780 -14.598 -99.200 -91.000