============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 13 0.840 57.193 30.017 26.245 -99.200 -91.000 TYR 17 0.840 55.110 25.710 25.470 -99.200 -91.000 PHE 20 1.000 52.413 23.158 20.102 -99.200 -91.000 PHE 38 1.000 55.016 26.256 15.920 -99.200 -91.000 PHE 66 1.000 37.952 24.163 5.428 -99.200 -91.000 TYR 81 0.840 24.560 10.087 9.774 -99.200 -91.000 PHE 90 1.000 11.353 4.568 16.135 -99.200 -91.000 PHE 117 1.000 21.722 34.993 12.033 -99.200 -91.000 PHE 139 1.000 14.903 9.330 24.639 -99.200 -91.000 TYR 142 0.840 7.223 3.058 18.732 -99.200 -91.000 TYR 144 0.840 12.898 3.140 27.109 -99.200 -91.000 HIS 152 0.900 26.365 11.085 27.124 -99.200 -91.000 PHE 157 1.000 19.797 18.604 19.257 -99.200 -91.000 TYR 160 0.840 28.391 20.065 21.369 -99.200 -91.000 PHE 164 1.000 22.861 28.018 16.609 -99.200 -91.000 TYR 171 0.840 26.715 37.620 13.911 -99.200 -91.000 PHE 172 1.000 22.196 38.788 17.009 -99.200 -91.000 PHE 181 1.000 29.193 31.579 9.268 -99.200 -91.000 HIS 189 0.900 29.873 15.049 15.742 -99.200 -91.000 PHE 198 1.000 16.534 7.153 18.495 -99.200 -91.000