============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. HIS 13 0.900 47.064 -16.419 23.798 -99.200 -91.000 PHE 39 1.000 41.275 -21.441 37.623 -99.200 -91.000 HIS 45 0.900 48.365 -11.538 28.462 -99.200 -91.000 PHE 56 1.000 38.606 -4.928 42.094 -99.200 -91.000 HIS 60 0.900 21.966 -7.597 33.889 -99.200 -91.000 PHE 71 1.000 38.845 -11.847 40.951 -99.200 -91.000 PHE 84 1.000 56.391 -2.053 50.218 -99.200 -91.000 TYR 100 0.840 60.167 -14.515 46.477 -99.200 -91.000 TYR 119 0.840 25.799 -15.074 41.347 -99.200 -91.000 TYR 139 0.840 51.628 -20.384 26.046 -99.200 -91.000 PHE 156 1.000 60.612 -12.840 33.618 -99.200 -91.000 TYR 159 0.840 63.281 -11.439 42.195 -99.200 -91.000 TYR 165 0.840 58.794 -22.189 38.044 -99.200 -91.000 PHE 166 1.000 57.510 -16.985 34.008 -99.200 -91.000 PHE 167 1.000 65.442 -15.541 31.912 -99.200 -91.000 HIS 171 0.900 70.107 -18.773 34.452 -99.200 -91.000 TYR 174 0.840 60.859 -20.180 26.953 -99.200 -91.000 PHE 180 1.000 56.553 -20.380 29.272 -99.200 -91.000 PHE 200 1.000 47.128 -19.802 45.087 -99.200 -91.000 TYR 201 0.840 43.575 -18.805 48.174 -99.200 -91.000 TYR 228 0.840 41.827 -13.253 49.054 -99.200 -91.000 TRP 232 1.040 30.067 -13.198 46.501 -99.200 -91.000 TRP6 232 1.020 30.023 -13.228 44.130 -99.200 -91.000 TYR 240 0.840 27.148 9.902 29.223 -99.200 -91.000 TYR 243 0.840 22.234 3.962 26.182 -99.200 -91.000 HIS 257 0.900 37.506 8.837 41.198 -99.200 -91.000 TYR 275 0.840 37.004 10.428 18.022 -99.200 -91.000 HIS 282 0.900 38.234 23.006 28.268 -99.200 -91.000 TYR 292 0.840 42.435 9.972 36.838 -99.200 -91.000 TYR 298 0.840 37.516 13.664 49.140 -99.200 -91.000 PHE 304 1.000 41.233 -2.505 56.554 -99.200 -91.000 TYR 317 0.840 31.924 16.706 43.524 -99.200 -91.000 PHE 322 1.000 28.884 21.691 31.751 -99.200 -91.000