============================================================================= 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. HIS 4 0.900 150.444 67.045 59.900 -99.200 -91.000 PHE 12 1.000 160.253 67.163 51.432 -99.200 -91.000 TYR 27 0.840 155.579 54.395 37.539 -99.200 -91.000 PHE 32 1.000 158.894 59.208 34.482 -99.200 -91.000 PHE 48 1.000 160.117 57.731 47.449 -99.200 -91.000 TYR 52 0.840 163.582 64.728 33.923 -99.200 -91.000 HIS 62 0.900 147.635 65.509 46.344 -99.200 -91.000 TYR 72 0.840 150.724 65.326 53.722 -99.200 -91.000 PHE 80 1.000 160.047 70.166 55.648 -99.200 -91.000 HIS 97 0.900 133.470 67.622 21.022 -99.200 -91.000 PHE 120 1.000 139.517 87.167 48.274 -99.200 -91.000 HIS 123 0.900 133.130 89.378 50.046 -99.200 -91.000 PHE 125 1.000 142.034 83.284 45.965 -99.200 -91.000 PHE 131 1.000 150.646 83.281 31.358 -99.200 -91.000 PHE 154 1.000 133.110 71.431 41.540 -99.200 -91.000 PHE 159 1.000 135.143 59.131 43.800 -99.200 -91.000 TYR 160 0.840 131.626 57.104 46.520 -99.200 -91.000 PHE 167 1.000 129.362 64.652 38.694 -99.200 -91.000 TYR 173 0.840 128.033 78.254 34.004 -99.200 -91.000 TYR 186 0.840 145.630 75.915 41.180 -99.200 -91.000 PHE 192 1.000 150.493 79.677 54.439 -99.200 -91.000 HIS 205 0.900 133.510 61.519 29.351 -99.200 -91.000 HIS 209 0.900 128.103 55.435 32.110 -99.200 -91.000 PHE 221 1.000 151.540 58.617 37.200 -99.200 -91.000