============================================================================= 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. TRP 8 1.040 3.150 -7.529 50.565 -99.200 -91.000 TRP6 8 1.020 5.327 -6.628 50.761 -99.200 -91.000 PHE 12 1.000 -0.027 -0.263 49.718 -99.200 -91.000 PHE 21 1.000 5.241 -2.993 54.804 -99.200 -91.000 TYR 43 0.840 6.719 10.432 49.109 -99.200 -91.000 PHE 49 1.000 15.361 15.473 61.450 -99.200 -91.000 HIS 66 0.900 17.786 7.887 83.798 -99.200 -91.000 PHE 69 1.000 13.689 16.556 76.369 -99.200 -91.000 TRP 71 1.040 3.660 23.447 78.666 -99.200 -91.000 TRP6 71 1.020 1.692 23.718 79.954 -99.200 -91.000 TRP 81 1.040 2.355 17.477 71.462 -99.200 -91.000 TRP6 81 1.020 2.349 18.773 69.486 -99.200 -91.000 PHE 99 1.000 12.237 15.006 69.727 -99.200 -91.000 TYR 114 0.840 26.121 14.793 65.023 -99.200 -91.000 PHE 118 1.000 22.975 10.394 62.385 -99.200 -91.000 TYR 120 0.840 16.763 11.375 58.100 -99.200 -91.000 PHE 132 1.000 15.792 20.299 59.826 -99.200 -91.000 TRP 133 1.040 10.936 17.941 62.029 -99.200 -91.000 TRP6 133 1.020 12.231 19.587 63.141 -99.200 -91.000 PHE 148 1.000 18.453 7.179 60.941 -99.200 -91.000 TYR 153 0.840 18.897 -5.254 64.916 -99.200 -91.000 TYR 179 0.840 4.971 -9.330 67.758 -99.200 -91.000 HIS 182 0.900 12.930 -1.403 69.409 -99.200 -91.000 PHE 187 1.000 -1.510 14.035 58.987 -99.200 -91.000 TRP 200 1.040 7.050 9.559 56.263 -99.200 -91.000 TRP6 200 1.020 8.622 8.298 55.023 -99.200 -91.000 TRP 201 1.040 4.046 2.489 62.326 -99.200 -91.000 TRP6 201 1.020 3.473 0.191 62.241 -99.200 -91.000 TRP 204 1.040 14.293 -2.623 65.066 -99.200 -91.000 TRP6 204 1.020 14.676 -0.357 65.634 -99.200 -91.000 TYR 212 0.840 11.038 -10.695 59.475 -99.200 -91.000 PHE 213 1.000 16.535 -3.920 59.870 -99.200 -91.000 PHE 214 1.000 7.644 -1.421 60.538 -99.200 -91.000 PHE 216 1.000 1.679 2.556 54.593 -99.200 -91.000