============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 1 1.000 90.857 84.990 20.173 -99.200 -91.000 TYR 36 0.840 74.186 69.040 27.537 -99.200 -91.000 HIS 67 0.900 74.736 77.066 39.545 -99.200 -91.000 TYR 99 0.840 55.558 85.688 29.993 -99.200 -91.000 HIS 100 0.900 50.145 81.988 23.787 -99.200 -91.000 PHE 107 1.000 43.357 93.740 39.726 -99.200 -91.000 TYR 109 0.840 49.348 95.614 35.701 -99.200 -91.000 TYR 111 0.840 45.878 88.815 26.340 -99.200 -91.000 PHE 121 1.000 59.927 90.335 29.471 -99.200 -91.000 PHE 153 1.000 51.989 71.316 19.470 -99.200 -91.000 HIS 165 0.900 40.962 89.827 19.110 -99.200 -91.000 PHE 167 1.000 49.971 88.847 22.193 -99.200 -91.000 HIS 182 0.900 59.486 87.602 33.765 -99.200 -91.000 HIS 185 0.900 63.285 93.524 32.166 -99.200 -91.000 PHE 187 1.000 69.437 86.994 37.296 -99.200 -91.000 PHE 191 1.000 65.320 88.344 24.483 -99.200 -91.000 HIS 206 0.900 50.341 65.069 17.803 -99.200 -91.000 PHE 209 1.000 56.964 69.341 17.834 -99.200 -91.000 PHE 212 1.000 57.596 68.553 7.386 -99.200 -91.000 HIS 233 0.900 86.644 83.783 16.520 -99.200 -91.000