============================================================================= 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. TYR 16 0.840 37.541 40.579 45.979 -99.200 -91.000 HIS 25 0.900 42.773 47.092 32.122 -99.200 -91.000 TYR 32 0.840 55.441 56.589 33.977 -99.200 -91.000 TYR 36 0.840 49.418 57.719 32.959 -99.200 -91.000 HIS 37 0.900 53.874 50.960 31.535 -99.200 -91.000 TYR 40 0.840 56.295 56.679 25.845 -99.200 -91.000 HIS 58 0.900 36.237 48.949 37.491 -99.200 -91.000 PHE 65 1.000 45.284 57.516 37.326 -99.200 -91.000 PHE 72 1.000 48.291 61.570 29.654 -99.200 -91.000 PHE 76 1.000 43.450 59.072 25.858 -99.200 -91.000 TYR 78 0.840 37.735 58.286 27.734 -99.200 -91.000 PHE 97 1.000 38.373 56.051 17.399 -99.200 -91.000 PHE 112 1.000 53.976 46.301 23.907 -99.200 -91.000 TYR 119 0.840 57.116 44.740 15.770 -99.200 -91.000 PHE 123 1.000 47.951 45.960 9.344 -99.200 -91.000 PHE 143 1.000 50.375 33.793 27.895 -99.200 -91.000 TYR 167 0.840 57.529 30.482 17.842 -99.200 -91.000 TYR 173 0.840 45.194 40.770 19.442 -99.200 -91.000 TYR 175 0.840 42.593 42.486 14.468 -99.200 -91.000 PHE 180 1.000 35.764 47.597 13.424 -99.200 -91.000 TYR 182 0.840 34.813 36.453 11.838 -99.200 -91.000 TRP 202 1.040 37.106 35.977 8.571 -99.200 -91.000 TRP6 202 1.020 37.461 38.294 8.280 -99.200 -91.000 TYR 203 0.840 41.793 40.133 9.542 -99.200 -91.000 TYR 211 0.840 55.134 34.736 11.589 -99.200 -91.000 TRP 217 1.040 61.143 43.819 29.156 -99.200 -91.000 TRP6 217 1.020 59.123 44.820 29.842 -99.200 -91.000 TRP 218 1.040 53.478 40.556 25.769 -99.200 -91.000 TRP6 218 1.020 52.688 38.417 26.351 -99.200 -91.000 HIS 224 0.900 46.915 38.748 43.517 -99.200 -91.000 PHE 239 1.000 55.716 55.365 29.790 -99.200 -91.000 PHE 243 1.000 52.699 59.730 28.425 -99.200 -91.000