============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 5 1.000 -11.315 -4.254 32.879 -99.200 -91.000 HIS 15 0.900 0.506 -15.508 29.328 -99.200 -91.000 HIS 61 0.900 9.817 4.609 32.441 -99.200 -91.000 PHE 68 1.000 18.488 -2.946 38.509 -99.200 -91.000 HIS 83 0.900 0.612 -1.533 48.790 -99.200 -91.000 PHE 85 1.000 2.445 -2.551 42.656 -99.200 -91.000 PHE 88 1.000 4.373 -2.299 30.341 -99.200 -91.000 PHE 93 1.000 13.192 -5.817 26.027 -99.200 -91.000 TYR 104 0.840 12.124 -10.820 28.572 -99.200 -91.000 PHE 109 1.000 19.507 -1.937 33.836 -99.200 -91.000 TRP 114 1.040 13.769 -7.063 37.360 -99.200 -91.000 TRP6 114 1.020 12.676 -5.232 36.391 -99.200 -91.000 HIS 121 0.900 8.861 0.222 19.470 -99.200 -91.000 HIS 140 0.900 6.987 -20.095 34.902 -99.200 -91.000 TYR 160 0.840 4.873 -0.543 12.879 -99.200 -91.000 HIS 171 0.900 4.774 -15.061 17.315 -99.200 -91.000 PHE 174 1.000 6.858 -13.437 25.744 -99.200 -91.000 PHE 178 1.000 -2.554 -6.243 20.204 -99.200 -91.000 PHE 190 1.000 -4.352 -11.147 21.454 -99.200 -91.000 HIS 192 0.900 -7.039 -3.920 22.749 -99.200 -91.000 TYR 210 0.840 0.164 13.890 27.912 -99.200 -91.000 TYR 244 0.840 -4.813 11.134 35.465 -99.200 -91.000 TRP 249 1.040 -14.178 0.627 38.224 -99.200 -91.000 TRP6 249 1.020 -13.067 -1.375 37.626 -99.200 -91.000 TYR 252 0.840 -14.616 -2.398 33.240 -99.200 -91.000