============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. TYR 8 0.840 5.776 14.509 78.763 -99.200 -91.000 HIS 49 0.900 15.449 -0.413 88.881 -99.200 -91.000 TYR 60 0.840 17.559 15.861 102.823 -99.200 -91.000 HIS 69 0.900 20.299 0.237 88.260 -99.200 -91.000 HIS 75 0.900 20.578 -2.278 84.265 -99.200 -91.000 TYR 76 0.840 24.367 4.991 82.185 -99.200 -91.000 TRP 79 1.040 17.926 12.078 85.733 -99.200 -91.000 TRP6 79 1.020 17.443 11.434 83.510 -99.200 -91.000 TYR 89 0.840 19.968 22.320 94.229 -99.200 -91.000 PHE 92 1.000 22.196 15.319 83.657 -99.200 -91.000 PHE 103 1.000 21.251 15.709 94.774 -99.200 -91.000 TYR 115 0.840 15.070 7.522 82.520 -99.200 -91.000 HIS 119 0.900 15.362 -2.368 84.725 -99.200 -91.000 HIS 121 0.900 11.098 10.274 86.476 -99.200 -91.000 TRP 122 1.040 12.236 3.207 88.916 -99.200 -91.000 TRP6 122 1.020 10.723 1.655 89.863 -99.200 -91.000