============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TYR 18 0.840 -7.546 13.229 118.328 -99.200 -91.000 TRP 27 1.040 -3.438 26.332 113.081 -99.200 -91.000 TRP6 27 1.020 -2.598 27.669 111.317 -99.200 -91.000 PHE 34 1.000 -5.553 16.753 114.981 -99.200 -91.000 PHE 38 1.000 -6.110 9.593 108.489 -99.200 -91.000 PHE 42 1.000 -4.725 4.417 105.768 -99.200 -91.000 TYR 45 0.840 -4.569 -0.502 110.115 -99.200 -91.000 HIS 50 0.900 7.018 7.414 100.625 -99.200 -91.000 HIS 62 0.900 -7.743 13.201 87.955 -99.200 -91.000 TYR 83 0.840 -18.992 4.756 93.713 -99.200 -91.000 TYR 92 0.840 -12.590 11.852 86.870 -99.200 -91.000 PHE 107 1.000 -20.215 -10.661 95.497 -99.200 -91.000 HIS 129 0.900 -7.813 -5.019 97.084 -99.200 -91.000 TYR 131 0.840 -19.479 -5.464 97.651 -99.200 -91.000 HIS 147 0.900 2.007 -9.715 79.749 -99.200 -91.000 TYR 163 0.840 -3.292 -12.231 98.449 -99.200 -91.000 PHE 177 1.000 -6.390 1.901 101.809 -99.200 -91.000 PHE 179 1.000 -9.401 7.383 104.776 -99.200 -91.000 PHE 180 1.000 -20.216 8.912 101.846 -99.200 -91.000 TYR 218 0.840 0.686 32.908 95.754 -99.200 -91.000 TRP 219 1.040 8.225 28.622 89.229 -99.200 -91.000 TRP6 219 1.020 8.308 30.462 87.747 -99.200 -91.000 PHE 220 1.000 0.984 27.580 91.240 -99.200 -91.000 PHE 225 1.000 -4.949 17.011 89.086 -99.200 -91.000 TYR 227 0.840 -7.762 16.028 92.754 -99.200 -91.000 HIS 247 0.900 -14.380 2.407 114.919 -99.200 -91.000 TRP 257 1.040 -24.518 -11.430 116.637 -99.200 -91.000 TRP6 257 1.020 -24.255 -9.180 117.307 -99.200 -91.000 TYR 258 0.840 -26.039 -9.551 108.514 -99.200 -91.000 HIS 273 0.900 -15.445 -18.708 98.799 -99.200 -91.000 HIS 280 0.900 -14.790 -10.063 103.202 -99.200 -91.000 PHE 282 1.000 -17.462 -10.681 105.678 -99.200 -91.000 TRP 283 1.040 -18.011 -0.504 103.488 -99.200 -91.000 TRP6 283 1.020 -19.169 -0.388 101.441 -99.200 -91.000 TYR 285 0.840 -23.053 -11.649 105.651 -99.200 -91.000 PHE 315 1.000 -20.513 -1.076 93.701 -99.200 -91.000 HIS 316 0.900 -27.794 -1.229 88.198 -99.200 -91.000 HIS 319 0.900 -20.843 -5.166 81.128 -99.200 -91.000 TYR 324 0.840 -17.120 4.419 81.921 -99.200 -91.000 HIS 326 0.900 -17.406 3.870 75.587 -99.200 -91.000 HIS 348 0.900 -24.582 0.520 111.343 -99.200 -91.000