============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 17 0.840 35.598 32.520 137.874 -99.200 -91.000 PHE 22 1.000 30.975 21.905 131.095 -99.200 -91.000 PHE 29 1.000 29.597 12.529 125.955 -99.200 -91.000 TYR 55 0.840 28.728 3.314 129.241 -99.200 -91.000 HIS 78 0.900 30.080 17.168 142.276 -99.200 -91.000 HIS 81 0.900 21.522 14.957 141.292 -99.200 -91.000 TYR 85 0.840 28.969 6.930 155.256 -99.200 -91.000 PHE 96 1.000 34.539 10.394 141.586 -99.200 -91.000 HIS 105 0.900 15.525 11.641 148.031 -99.200 -91.000 PHE 108 1.000 16.432 21.799 157.553 -99.200 -91.000 HIS 123 0.900 34.227 18.965 155.243 -99.200 -91.000 PHE 155 1.000 20.996 20.931 153.997 -99.200 -91.000 TYR 163 0.840 31.094 22.218 146.633 -99.200 -91.000 HIS 172 0.900 17.981 17.200 137.563 -99.200 -91.000 TYR 175 0.840 10.785 17.073 126.430 -99.200 -91.000 PHE 182 1.000 9.929 33.849 137.561 -99.200 -91.000 HIS 185 0.900 17.645 35.377 137.766 -99.200 -91.000 HIS 202 0.900 22.195 19.621 140.812 -99.200 -91.000 PHE 215 1.000 18.017 13.904 118.837 -99.200 -91.000 HIS 229 0.900 17.344 33.963 127.401 -99.200 -91.000 PHE 254 1.000 29.233 11.005 121.653 -99.200 -91.000 PHE 269 1.000 33.941 -1.647 108.466 -99.200 -91.000 TYR 274 0.840 30.683 5.319 114.314 -99.200 -91.000 PHE 293 1.000 28.344 27.763 132.390 -99.200 -91.000