============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 21 0.840 9.027 53.407 31.012 -99.200 -91.000 TRP 40 1.040 17.153 58.279 3.427 -99.200 -91.000 TRP6 40 1.020 18.333 58.109 1.383 -99.200 -91.000 TYR 42 0.840 6.330 56.162 6.543 -99.200 -91.000 PHE 52 1.000 16.970 58.194 20.996 -99.200 -91.000 HIS 91 0.900 22.460 44.487 33.142 -99.200 -91.000 PHE 92 1.000 24.255 49.690 27.507 -99.200 -91.000 PHE 114 1.000 16.934 32.175 32.861 -99.200 -91.000 PHE 123 1.000 8.230 38.339 24.321 -99.200 -91.000 TYR 125 0.840 16.252 31.040 21.066 -99.200 -91.000 TYR 157 0.840 29.399 62.432 13.147 -99.200 -91.000 PHE 163 1.000 18.250 55.806 9.193 -99.200 -91.000 PHE 165 1.000 19.487 49.331 16.086 -99.200 -91.000 PHE 179 1.000 -10.141 25.689 26.342 -99.200 -91.000 TRP 203 1.040 31.108 46.263 26.160 -99.200 -91.000 TRP6 203 1.020 30.877 48.570 25.678 -99.200 -91.000 PHE 206 1.000 36.029 52.020 24.578 -99.200 -91.000 PHE 216 1.000 29.522 55.038 18.453 -99.200 -91.000 PHE 225 1.000 14.832 44.437 2.835 -99.200 -91.000 TRP 227 1.040 19.067 35.008 7.993 -99.200 -91.000 TRP6 227 1.020 18.075 35.710 10.016 -99.200 -91.000 PHE 230 1.000 14.072 38.009 -0.393 -99.200 -91.000 PHE 253 1.000 4.206 38.450 10.458 -99.200 -91.000 HIS 256 0.900 13.178 42.973 15.863 -99.200 -91.000 HIS 284 0.900 3.793 57.465 15.138 -99.200 -91.000 TYR 317 0.840 12.939 39.859 11.568 -99.200 -91.000 TYR 323 0.840 15.419 30.447 12.719 -99.200 -91.000