============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. HIS 4 0.900 104.826 193.658 123.778 -99.200 -91.000 HIS 12 0.900 115.417 183.576 133.311 -99.200 -91.000 HIS 26 0.900 98.878 195.229 142.693 -99.200 -91.000 PHE 27 1.000 104.654 192.594 134.390 -99.200 -91.000 HIS 38 0.900 106.295 188.841 150.600 -99.200 -91.000 HIS 45 0.900 104.885 206.012 154.235 -99.200 -91.000 PHE 64 1.000 101.096 204.009 137.477 -99.200 -91.000 PHE 93 1.000 118.617 189.935 155.361 -99.200 -91.000 HIS 97 0.900 116.042 184.866 164.072 -99.200 -91.000 TYR 103 0.840 104.161 190.209 153.560 -99.200 -91.000 HIS 113 0.900 122.023 192.679 144.410 -99.200 -91.000 PHE 129 1.000 120.401 207.981 155.316 -99.200 -91.000 TYR 141 0.840 113.965 197.912 161.336 -99.200 -91.000 TYR 150 0.840 127.581 185.430 157.640 -99.200 -91.000