============================================================================= 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 91.071 84.497 20.261 -99.200 -91.000 TYR 36 0.840 74.695 68.477 28.065 -99.200 -91.000 HIS 67 0.900 77.240 75.944 38.633 -99.200 -91.000 TYR 99 0.840 55.677 85.261 29.966 -99.200 -91.000 HIS 100 0.900 50.282 81.576 23.637 -99.200 -91.000 PHE 107 1.000 44.340 93.373 39.593 -99.200 -91.000 TYR 109 0.840 49.568 95.278 35.509 -99.200 -91.000 TYR 111 0.840 45.946 88.321 26.207 -99.200 -91.000 PHE 121 1.000 59.972 89.924 29.454 -99.200 -91.000 PHE 153 1.000 52.383 70.687 19.697 -99.200 -91.000 HIS 165 0.900 41.043 88.989 19.188 -99.200 -91.000 PHE 167 1.000 50.095 88.532 22.084 -99.200 -91.000 HIS 182 0.900 59.625 87.368 33.737 -99.200 -91.000 HIS 185 0.900 63.405 93.169 32.081 -99.200 -91.000 PHE 187 1.000 69.482 86.467 37.244 -99.200 -91.000 PHE 191 1.000 65.688 87.971 24.657 -99.200 -91.000 HIS 206 0.900 50.800 64.531 18.127 -99.200 -91.000 PHE 209 1.000 57.453 68.513 18.145 -99.200 -91.000 PHE 212 1.000 58.123 67.557 7.795 -99.200 -91.000 HIS 233 0.900 86.685 83.631 16.034 -99.200 -91.000