============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 3 1.000 89.313 56.538 72.303 -99.200 -91.000 HIS 9 0.900 85.737 67.863 69.127 -99.200 -91.000 HIS 63 0.900 97.122 61.022 73.434 -99.200 -91.000 PHE 75 1.000 83.133 53.310 70.440 -99.200 -91.000 PHE 76 1.000 76.376 56.089 65.047 -99.200 -91.000 PHE 106 1.000 77.182 52.324 77.928 -99.200 -91.000 PHE 116 1.000 89.556 46.048 60.715 -99.200 -91.000 TRP 122 1.040 96.032 51.437 46.699 -99.200 -91.000 TRP6 122 1.020 95.611 53.514 45.654 -99.200 -91.000 PHE 128 1.000 90.853 63.710 40.049 -99.200 -91.000 PHE 144 1.000 68.943 59.453 37.028 -99.200 -91.000 HIS 148 0.900 68.687 49.905 40.765 -99.200 -91.000 TYR 153 0.840 82.202 42.442 35.869 -99.200 -91.000 TYR 154 0.840 80.289 45.966 31.771 -99.200 -91.000 PHE 160 1.000 83.496 58.798 40.141 -99.200 -91.000 HIS 175 0.900 67.129 48.254 29.389 -99.200 -91.000 HIS 191 0.900 93.384 55.904 34.251 -99.200 -91.000 HIS 226 0.900 93.177 62.672 53.424 -99.200 -91.000 PHE 230 1.000 85.130 61.798 58.162 -99.200 -91.000 PHE 232 1.000 85.174 54.859 49.824 -99.200 -91.000 PHE 241 1.000 80.204 52.555 32.514 -99.200 -91.000 TYR 244 0.840 80.420 60.894 27.075 -99.200 -91.000 HIS 255 0.900 67.582 70.623 19.453 -99.200 -91.000 PHE 267 1.000 56.583 62.391 30.063 -99.200 -91.000 PHE 278 1.000 56.541 44.193 29.707 -99.200 -91.000 TYR 284 0.840 50.518 59.938 20.022 -99.200 -91.000 TYR 310 0.840 58.966 69.509 17.652 -99.200 -91.000 PHE 319 1.000 61.357 58.027 24.982 -99.200 -91.000 TYR 323 0.840 64.225 52.843 31.998 -99.200 -91.000 TYR 359 0.840 70.349 63.554 33.353 -99.200 -91.000