============================================================================= 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 5 0.840 59.923 -1.482 18.576 -99.200 -91.000 TYR 14 0.840 55.252 11.022 21.195 -99.200 -91.000 TYR 22 0.840 50.332 2.960 41.873 -99.200 -91.000 HIS 23 0.900 53.221 3.774 33.951 -99.200 -91.000 PHE 24 1.000 47.908 6.952 37.688 -99.200 -91.000 TRP 34 1.040 47.133 22.989 29.028 -99.200 -91.000 TRP6 34 1.020 45.170 22.493 30.216 -99.200 -91.000 HIS 40 0.900 40.983 3.627 31.217 -99.200 -91.000 TYR 42 0.840 40.039 12.473 38.523 -99.200 -91.000 PHE 64 1.000 60.480 12.165 38.792 -99.200 -91.000 HIS 73 0.900 34.040 15.025 26.426 -99.200 -91.000 TYR 76 0.840 35.038 8.190 31.546 -99.200 -91.000 TRP 121 1.040 57.728 2.944 31.014 -99.200 -91.000 TRP6 121 1.020 57.136 5.163 30.429 -99.200 -91.000 TYR 131 0.840 52.277 -4.262 35.228 -99.200 -91.000 TYR 152 0.840 36.567 -5.388 20.901 -99.200 -91.000 PHE 161 1.000 42.282 4.802 16.473 -99.200 -91.000 TYR 165 0.840 49.985 -6.257 14.332 -99.200 -91.000 TRP 193 1.040 37.220 0.116 24.995 -99.200 -91.000 TRP6 193 1.020 36.128 -1.782 24.175 -99.200 -91.000 TYR 206 0.840 44.519 1.586 20.499 -99.200 -91.000 TYR 212 0.840 36.833 13.061 21.843 -99.200 -91.000 TRP 215 1.040 36.145 19.178 25.302 -99.200 -91.000 TRP6 215 1.020 37.741 17.897 26.474 -99.200 -91.000