============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. HIS 15 0.900 56.143 8.369 22.278 -99.200 -91.000 PHE 23 1.000 59.070 24.299 24.308 -99.200 -91.000 PHE 27 1.000 62.106 21.669 29.174 -99.200 -91.000 PHE 37 1.000 59.217 25.925 32.744 -99.200 -91.000 TYR 45 0.840 45.027 26.039 35.070 -99.200 -91.000 PHE 46 1.000 43.900 28.146 30.484 -99.200 -91.000 TYR 48 0.840 48.505 17.350 31.928 -99.200 -91.000 HIS 61 0.900 31.817 4.828 30.061 -99.200 -91.000 PHE 64 1.000 39.417 7.504 32.614 -99.200 -91.000 TYR 68 0.840 38.740 9.184 39.266 -99.200 -91.000 PHE 69 1.000 45.147 4.289 38.930 -99.200 -91.000 HIS 74 0.900 42.930 13.555 38.400 -99.200 -91.000 TYR 85 0.840 58.053 30.565 41.286 -99.200 -91.000 PHE 86 1.000 57.297 29.846 36.273 -99.200 -91.000 PHE 87 1.000 51.805 33.477 33.687 -99.200 -91.000 TRP 91 1.040 46.787 32.082 38.445 -99.200 -91.000 TRP6 91 1.020 45.982 30.410 36.984 -99.200 -91.000 TYR 104 0.840 45.011 17.562 23.713 -99.200 -91.000 HIS 109 0.900 36.196 20.303 28.298 -99.200 -91.000 TYR 110 0.840 32.991 14.376 20.122 -99.200 -91.000 HIS 122 0.900 42.584 12.798 23.675 -99.200 -91.000 TYR 124 0.840 49.515 3.986 27.412 -99.200 -91.000 TYR 127 0.840 47.405 12.170 33.533 -99.200 -91.000 PHE 156 1.000 53.129 18.854 33.896 -99.200 -91.000 TYR 157 0.840 57.863 19.811 34.213 -99.200 -91.000 PHE 159 1.000 53.419 12.625 37.727 -99.200 -91.000 PHE 168 1.000 50.078 4.762 38.861 -99.200 -91.000 TYR 172 0.840 47.111 4.464 33.116 -99.200 -91.000 PHE 197 1.000 52.005 11.056 20.548 -99.200 -91.000 TYR 199 0.840 43.632 18.371 18.637 -99.200 -91.000 PHE 204 1.000 55.929 19.946 22.182 -99.200 -91.000