============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 7 1.000 -2.963 29.137 -21.540 -99.200 -91.000 TYR 9 0.840 2.115 28.733 -21.066 -99.200 -91.000 TYR 17 0.840 12.984 29.386 -14.056 -99.200 -91.000 PHE 26 1.000 5.462 24.184 -21.508 -99.200 -91.000 HIS 31 0.900 -5.536 21.232 -18.112 -99.200 -91.000 TYR 52 0.840 12.002 20.908 -24.867 -99.200 -91.000 TYR 60 0.840 6.236 34.017 -34.268 -99.200 -91.000 TYR 62 0.840 14.581 38.391 -28.333 -99.200 -91.000 PHE 65 1.000 6.664 38.731 -28.490 -99.200 -91.000 TYR 78 0.840 7.186 31.209 -18.021 -99.200 -91.000 HIS 86 0.900 11.183 40.122 -16.335 -99.200 -91.000 PHE 89 1.000 10.480 41.533 -26.052 -99.200 -91.000 PHE 94 1.000 -0.903 41.606 -20.807 -99.200 -91.000 HIS 99 0.900 -5.166 35.106 -21.528 -99.200 -91.000 TYR 131 0.840 6.252 36.320 -7.131 -99.200 -91.000 HIS 134 0.900 3.301 33.009 -4.823 -99.200 -91.000 TYR 135 0.840 1.217 28.743 -8.761 -99.200 -91.000 TRP 174 1.040 20.526 38.473 -17.350 -99.200 -91.000 TRP6 174 1.020 19.064 39.110 -15.600 -99.200 -91.000 TYR 192 0.840 13.155 32.613 -5.475 -99.200 -91.000 TYR 199 0.840 5.211 31.950 0.351 -99.200 -91.000 TYR 211 0.840 25.357 47.536 6.405 -99.200 -91.000 TYR 213 0.840 31.232 45.578 2.879 -99.200 -91.000 PHE 221 1.000 29.413 41.049 -5.587 -99.200 -91.000 TRP 230 1.040 14.558 41.722 3.772 -99.200 -91.000 TRP6 230 1.020 16.016 40.429 2.420 -99.200 -91.000 PHE 234 1.000 5.727 41.162 8.275 -99.200 -91.000 HIS 241 0.900 16.837 37.506 11.743 -99.200 -91.000 TYR 246 0.840 23.369 38.447 -7.122 -99.200 -91.000 PHE 254 1.000 12.182 31.156 2.626 -99.200 -91.000 TYR 271 0.840 16.002 26.226 -10.070 -99.200 -91.000 TYR 272 0.840 15.593 20.140 -9.977 -99.200 -91.000 PHE 287 1.000 10.881 24.380 -11.933 -99.200 -91.000 HIS 293 0.900 -3.071 29.094 -10.705 -99.200 -91.000 TYR 322 0.840 17.487 47.332 -3.884 -99.200 -91.000 TRP 335 1.040 2.464 49.843 -0.008 -99.200 -91.000 TRP6 335 1.020 4.797 50.217 0.116 -99.200 -91.000 TYR 337 0.840 -0.571 43.450 -2.334 -99.200 -91.000 TYR 343 0.840 -0.675 37.508 2.036 -99.200 -91.000