============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 33 0.840 -8.394 19.835 20.061 -99.200 -91.000 PHE 39 1.000 -9.697 29.391 18.592 -99.200 -91.000 HIS 62 0.900 17.518 59.514 10.854 -99.200 -91.000 TYR 78 0.840 -3.599 46.820 31.456 -99.200 -91.000 HIS 85 0.900 6.769 57.583 29.674 -99.200 -91.000 TYR 102 0.840 5.685 46.477 31.442 -99.200 -91.000 HIS 114 0.900 4.630 55.156 12.253 -99.200 -91.000 PHE 124 1.000 4.606 43.318 8.850 -99.200 -91.000 PHE 133 1.000 -3.137 40.238 11.829 -99.200 -91.000 TRP 183 1.040 10.747 45.351 22.188 -99.200 -91.000 TRP6 183 1.020 10.130 46.259 20.094 -99.200 -91.000 TRP 202 1.040 12.729 23.801 28.453 -99.200 -91.000 TRP6 202 1.020 11.022 22.755 27.194 -99.200 -91.000 TYR 213 0.840 -19.039 36.436 23.836 -99.200 -91.000 TRP 223 1.040 15.034 30.217 21.468 -99.200 -91.000 TRP6 223 1.020 13.479 31.982 21.717 -99.200 -91.000 HIS 227 0.900 15.306 18.034 22.442 -99.200 -91.000 TYR 235 0.840 -4.931 32.523 19.082 -99.200 -91.000 PHE 236 1.000 -10.807 27.812 26.964 -99.200 -91.000 HIS 259 0.900 5.371 13.536 28.221 -99.200 -91.000 PHE 261 1.000 9.133 18.464 21.268 -99.200 -91.000