============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 6 0.840 -10.041 2.622 -15.530 -99.200 -91.000 PHE 35 1.000 -11.614 3.545 -4.413 -99.200 -91.000 PHE 45 1.000 -13.288 16.672 -5.215 -99.200 -91.000 TYR 47 0.840 -9.004 7.851 -5.028 -99.200 -91.000 PHE 52 1.000 -1.529 2.165 -5.013 -99.200 -91.000 HIS 53 0.900 0.597 7.847 1.129 -99.200 -91.000 PHE 59 1.000 -0.222 -3.127 7.181 -99.200 -91.000 PHE 66 1.000 -8.190 13.854 -4.056 -99.200 -91.000 HIS 69 0.900 -0.153 15.050 -4.679 -99.200 -91.000 TYR 78 0.840 -20.135 11.342 0.792 -99.200 -91.000 PHE 82 1.000 -16.656 9.088 3.786 -99.200 -91.000 PHE 87 1.000 -16.097 0.519 11.887 -99.200 -91.000 HIS 91 0.900 -9.972 -4.423 7.581 -99.200 -91.000 PHE 111 1.000 -7.007 3.734 -2.758 -99.200 -91.000 PHE 112 1.000 -6.292 -0.603 4.714 -99.200 -91.000 TRP 120 1.040 -3.648 -5.464 12.299 -99.200 -91.000 TRP6 120 1.020 -2.763 -7.278 11.019 -99.200 -91.000 HIS 125 0.900 -8.178 1.591 9.474 -99.200 -91.000 PHE 128 1.000 -13.567 1.502 -0.088 -99.200 -91.000 HIS 130 0.900 -14.296 -8.576 -3.585 -99.200 -91.000 PHE 144 1.000 8.604 -1.431 -8.598 -99.200 -91.000