============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 7 1.000 57.482-212.386 28.179 -99.200 -91.000 PHE 14 1.000 53.306-218.630 23.101 -99.200 -91.000 TYR 18 0.840 52.671-218.120 17.264 -99.200 -91.000 HIS 65 0.900 68.649-187.845 6.332 -99.200 -91.000 HIS 83 0.900 56.603-193.144 14.244 -99.200 -91.000 HIS 91 0.900 66.144-184.508 14.744 -99.200 -91.000 TYR 94 0.840 59.437-180.472 17.053 -99.200 -91.000 TYR 95 0.840 66.067-181.054 18.116 -99.200 -91.000 PHE 115 1.000 52.627-206.812 20.426 -99.200 -91.000 PHE 130 1.000 53.897-201.955 12.998 -99.200 -91.000 HIS 139 0.900 76.530-189.640 4.955 -99.200 -91.000 TYR 145 0.840 77.584-193.367 2.430 -99.200 -91.000 PHE 148 1.000 71.054-198.488 12.117 -99.200 -91.000 HIS 149 0.900 66.299-207.520 10.342 -99.200 -91.000 PHE 156 1.000 67.792-199.810 16.748 -99.200 -91.000 TYR 157 0.840 71.436-207.454 16.527 -99.200 -91.000 TYR 159 0.840 72.335-207.588 10.434 -99.200 -91.000 TRP 179 1.040 80.356-205.830 3.539 -99.200 -91.000 TRP6 179 1.020 81.938-205.482 5.251 -99.200 -91.000 HIS 180 0.900 85.890-206.234 -0.384 -99.200 -91.000 PHE 218 1.000 65.549-194.396 -1.511 -99.200 -91.000 TYR 221 0.840 70.642-197.676 -8.597 -99.200 -91.000