============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 4 1.000 -35.424 22.378 3.951 -99.200 -91.000 TYR 8 0.840 -31.516 24.351 1.825 -99.200 -91.000 PHE 19 1.000 -42.577 4.258 7.770 -99.200 -91.000 PHE 34 1.000 -27.798 22.497 -2.015 -99.200 -91.000 PHE 44 1.000 -38.131 5.531 10.495 -99.200 -91.000 HIS 63 0.900 -21.055 13.861 9.880 -99.200 -91.000 HIS 67 0.900 -16.091 6.869 -3.502 -99.200 -91.000 HIS 69 0.900 -18.010 7.522 -9.075 -99.200 -91.000 TYR 77 0.840 -31.444 22.969 7.809 -99.200 -91.000 TYR 84 0.840 -37.579 19.876 7.088 -99.200 -91.000 PHE 87 1.000 -29.372 12.588 1.490 -99.200 -91.000 PHE 89 1.000 -31.897 18.042 -8.481 -99.200 -91.000 PHE 97 1.000 -36.943 5.029 -15.153 -99.200 -91.000 PHE 107 1.000 -24.915 10.996 -28.072 -99.200 -91.000 TYR 109 0.840 -26.361 0.237 -22.580 -99.200 -91.000 HIS 116 0.900 -17.018 5.473 -17.209 -99.200 -91.000 TYR 117 0.840 -23.528 4.725 -17.055 -99.200 -91.000 TYR 127 0.840 -15.747 6.068 1.406 -99.200 -91.000 HIS 129 0.900 -18.736 -4.071 0.470 -99.200 -91.000 HIS 135 0.900 -27.378 0.874 -0.754 -99.200 -91.000 PHE 159 1.000 -25.138 4.657 1.100 -99.200 -91.000 HIS 180 0.900 -38.338 -8.699 -9.013 -99.200 -91.000 PHE 181 1.000 -32.780 -5.164 -8.172 -99.200 -91.000 TYR 192 0.840 -27.699 -9.989 5.576 -99.200 -91.000 TRP 199 1.040 -27.879 -11.794 -5.566 -99.200 -91.000 TRP6 199 1.020 -27.522 -14.048 -6.206 -99.200 -91.000 PHE 206 1.000 -29.440 -11.900 -16.128 -99.200 -91.000 PHE 215 1.000 -31.614 -15.046 -9.762 -99.200 -91.000 TYR 216 0.840 -38.181 -14.522 -14.854 -99.200 -91.000 PHE 223 1.000 -38.399 -13.543 -1.613 -99.200 -91.000 TYR 231 0.840 -27.456 -16.731 -13.710 -99.200 -91.000 TRP 238 1.040 -28.414 -12.398 -21.198 -99.200 -91.000 TRP6 238 1.020 -26.603 -11.603 -19.896 -99.200 -91.000 HIS 240 0.900 -27.314 -9.664 -30.453 -99.200 -91.000 TYR 264 0.840 -12.093 -4.544 -1.309 -99.200 -91.000 HIS 269 0.900 -14.128 -10.233 -15.135 -99.200 -91.000 TRP 271 1.040 -17.185 -6.541 -19.683 -99.200 -91.000 TRP6 271 1.020 -18.848 -5.401 -18.441 -99.200 -91.000 TYR 278 0.840 -9.460 -8.536 -21.540 -99.200 -91.000 TYR 280 0.840 -17.620 -8.685 -27.724 -99.200 -91.000 HIS 283 0.900 -27.312 0.988 -30.028 -99.200 -91.000 PHE 294 1.000 -35.878 -3.141 -15.239 -99.200 -91.000