============================================================================= 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. TYR 4 0.840 32.990-224.301 39.168 -99.200 -91.000 PHE 11 1.000 31.239-216.262 45.670 -99.200 -91.000 PHE 18 1.000 39.284-224.131 44.775 -99.200 -91.000 TYR 22 0.840 44.948-222.438 42.955 -99.200 -91.000 PHE 44 1.000 55.153-203.682 63.385 -99.200 -91.000 HIS 69 0.900 50.416-193.216 62.766 -99.200 -91.000 TYR 74 0.840 55.561-206.105 52.421 -99.200 -91.000 HIS 83 0.900 49.592-202.025 43.923 -99.200 -91.000 PHE 95 1.000 41.635-190.379 59.340 -99.200 -91.000 TYR 99 0.840 38.493-187.197 58.323 -99.200 -91.000 PHE 108 1.000 47.769-198.531 57.323 -99.200 -91.000 TYR 115 0.840 44.398-200.982 46.745 -99.200 -91.000 HIS 119 0.900 43.511-205.229 44.027 -99.200 -91.000 TYR 122 0.840 36.015-205.305 40.562 -99.200 -91.000 PHE 128 1.000 47.193-206.412 46.787 -99.200 -91.000 PHE 134 1.000 47.934-203.515 58.961 -99.200 -91.000 HIS 143 0.900 45.094-199.812 68.117 -99.200 -91.000 TYR 145 0.840 44.362-203.926 63.304 -99.200 -91.000 TYR 153 0.840 40.673-205.547 58.947 -99.200 -91.000 TRP 154 1.040 40.002-211.830 61.817 -99.200 -91.000 TRP6 154 1.020 37.724-211.364 62.220 -99.200 -91.000 TYR 156 0.840 46.232-211.825 64.259 -99.200 -91.000 HIS 178 0.900 55.593-219.539 79.955 -99.200 -91.000 TYR 196 0.840 68.926-215.346 65.600 -99.200 -91.000 HIS 199 0.900 67.221-219.286 58.926 -99.200 -91.000 PHE 207 1.000 68.474-215.632 61.115 -99.200 -91.000 TRP 213 1.040 61.847-199.895 68.811 -99.200 -91.000 TRP6 213 1.020 62.212-199.979 71.142 -99.200 -91.000 HIS 223 0.900 58.474-198.477 61.770 -99.200 -91.000 PHE 225 1.000 62.989-199.347 59.633 -99.200 -91.000 PHE 237 1.000 66.449-212.871 75.366 -99.200 -91.000