============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 3 1.000 -13.162 21.764 17.390 -99.200 -91.000 TYR 11 0.840 -9.252 17.261 36.420 -99.200 -91.000 PHE 12 1.000 -3.906 16.680 36.874 -99.200 -91.000 HIS 43 0.900 -1.300 4.171 27.583 -99.200 -91.000 PHE 47 1.000 -14.859 -3.427 26.213 -99.200 -91.000 PHE 60 1.000 -12.011 20.636 32.005 -99.200 -91.000 TYR 61 0.840 -19.160 16.227 31.556 -99.200 -91.000 HIS 73 0.900 -14.654 3.540 22.566 -99.200 -91.000 TYR 76 0.840 -19.960 8.305 19.206 -99.200 -91.000 TYR 104 0.840 5.590 -0.023 23.292 -99.200 -91.000 PHE 124 1.000 -3.235 18.693 17.700 -99.200 -91.000 PHE 127 1.000 12.083 16.841 19.967 -99.200 -91.000 PHE 134 1.000 2.624 21.677 27.853 -99.200 -91.000 TYR 158 0.840 -4.468 6.979 14.334 -99.200 -91.000 TYR 168 0.840 1.891 30.808 15.561 -99.200 -91.000 TYR 184 0.840 16.431 5.154 21.450 -99.200 -91.000 PHE 189 1.000 25.867 2.229 30.129 -99.200 -91.000 TYR 191 0.840 24.701 0.017 36.830 -99.200 -91.000 TYR 195 0.840 20.513 -7.902 49.023 -99.200 -91.000 PHE 199 1.000 21.633 -3.034 39.583 -99.200 -91.000 TYR 200 0.840 21.909 -7.406 33.114 -99.200 -91.000 TRP 201 1.040 19.191 2.702 33.599 -99.200 -91.000 TRP6 201 1.020 19.167 3.585 35.788 -99.200 -91.000 PHE 207 1.000 16.063 11.847 20.767 -99.200 -91.000 TRP 209 1.040 24.563 12.360 18.705 -99.200 -91.000 TRP6 209 1.020 26.748 11.628 19.265 -99.200 -91.000 HIS 210 0.900 24.478 8.354 13.522 -99.200 -91.000 TYR 217 0.840 12.476 9.636 16.376 -99.200 -91.000 TRP 218 1.040 16.184 16.036 9.247 -99.200 -91.000 TRP6 218 1.020 15.136 17.963 8.357 -99.200 -91.000 TYR 224 0.840 11.435 22.692 8.977 -99.200 -91.000 HIS 231 0.900 -1.636 2.240 6.489 -99.200 -91.000 TYR 237 0.840 -5.652 -5.236 3.879 -99.200 -91.000 TYR 245 0.840 5.104 -19.720 4.241 -99.200 -91.000