============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 30 0.900 36.217 52.584 -6.082 -99.200 -91.000 TYR 36 0.840 34.541 51.735 -0.415 -99.200 -91.000 TYR 38 0.840 33.455 49.571 7.906 -99.200 -91.000 TRP 39 1.040 36.100 57.496 12.196 -99.200 -91.000 TRP6 39 1.020 38.150 57.766 13.359 -99.200 -91.000 PHE 40 1.000 34.760 49.007 13.131 -99.200 -91.000 TYR 53 0.840 27.103 53.361 7.221 -99.200 -91.000 PHE 66 1.000 30.188 58.853 19.735 -99.200 -91.000 PHE 75 1.000 40.211 59.369 6.079 -99.200 -91.000 TYR 90 0.840 36.111 56.497 20.583 -99.200 -91.000 TYR 91 0.840 41.288 49.813 18.077 -99.200 -91.000 HIS 95 0.900 35.204 49.522 4.105 -99.200 -91.000 TYR 98 0.840 40.291 42.097 0.165 -99.200 -91.000 PHE 100 1.000 39.178 44.436 3.620 -99.200 -91.000 PHE 102 1.000 40.803 46.575 12.200 -99.200 -91.000 PHE 122 1.000 34.741 43.424 51.298 -99.200 -91.000 PHE 139 1.000 36.635 44.709 46.483 -99.200 -91.000 PHE 143 1.000 40.873 55.420 42.856 -99.200 -91.000 TYR 144 0.840 39.988 61.602 37.261 -99.200 -91.000 TRP 152 1.040 47.032 45.530 52.030 -99.200 -91.000 TRP6 152 1.020 44.964 44.755 52.865 -99.200 -91.000 TRP 167 1.040 44.753 51.613 39.950 -99.200 -91.000 TRP6 167 1.020 46.722 50.626 40.811 -99.200 -91.000 TYR 177 0.840 40.832 55.911 36.102 -99.200 -91.000 TYR 190 0.840 43.126 36.185 59.196 -99.200 -91.000 HIS 193 0.900 50.823 38.881 63.322 -99.200 -91.000 TYR 196 0.840 45.017 40.676 59.826 -99.200 -91.000 HIS 202 0.900 42.468 60.053 44.991 -99.200 -91.000 PHE 213 1.000 39.896 41.995 59.092 -99.200 -91.000