============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 5 1.000 -9.240 23.853 -10.267 -99.200 -91.000 TYR 6 0.840 -7.823 26.025 -4.622 -99.200 -91.000 HIS 9 0.900 -5.425 24.294 -14.693 -99.200 -91.000 HIS 24 0.900 -5.607 41.033 1.499 -99.200 -91.000 PHE 30 1.000 -15.209 33.508 -2.395 -99.200 -91.000 PHE 38 1.000 -1.570 17.512 7.863 -99.200 -91.000 HIS 51 0.900 -1.483 31.079 25.284 -99.200 -91.000 PHE 53 1.000 1.435 28.884 19.755 -99.200 -91.000 PHE 63 1.000 -5.537 36.364 4.055 -99.200 -91.000 HIS 66 0.900 -8.455 46.330 8.082 -99.200 -91.000 TYR 74 0.840 -7.652 30.235 14.993 -99.200 -91.000 PHE 78 1.000 -2.616 29.957 7.707 -99.200 -91.000 PHE 80 1.000 1.475 31.017 14.969 -99.200 -91.000 PHE 100 1.000 2.705 47.738 -7.168 -99.200 -91.000 TYR 112 0.840 -2.179 46.640 1.102 -99.200 -91.000 PHE 114 1.000 2.079 49.959 10.260 -99.200 -91.000 HIS 117 0.900 -11.638 47.900 8.715 -99.200 -91.000 HIS 124 0.900 -16.455 48.239 20.344 -99.200 -91.000 TYR 160 0.840 4.358 50.724 18.401 -99.200 -91.000 TYR 173 0.840 1.347 36.108 18.844 -99.200 -91.000 HIS 213 0.900 -9.359 39.580 30.159 -99.200 -91.000 TYR 286 0.840 18.074 28.991 18.894 -99.200 -91.000 TYR 321 0.840 -0.296 38.349 3.122 -99.200 -91.000 PHE 326 1.000 3.081 34.550 -6.077 -99.200 -91.000 TRP 327 1.040 2.628 28.296 -4.098 -99.200 -91.000 TRP6 327 1.020 2.965 28.277 -6.458 -99.200 -91.000 PHE 348 1.000 15.175 17.040 13.949 -99.200 -91.000 HIS 359 0.900 21.649 28.301 16.074 -99.200 -91.000