============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TRP 4 1.040 33.382 2.233 -5.649 -99.200 -91.000 TRP6 4 1.020 32.508 3.018 -3.609 -99.200 -91.000 HIS 47 0.900 29.496 -3.582 1.414 -99.200 -91.000 TYR 62 0.840 32.858 -1.409 5.460 -99.200 -91.000 HIS 78 0.900 43.360 -0.804 13.825 -99.200 -91.000 PHE 104 1.000 31.925 11.229 2.561 -99.200 -91.000 TRP 105 1.040 25.557 9.459 10.827 -99.200 -91.000 TRP6 105 1.020 23.671 10.808 10.388 -99.200 -91.000 HIS 107 0.900 27.508 6.686 13.358 -99.200 -91.000 TYR 152 0.840 -0.229 -1.182 19.508 -99.200 -91.000 PHE 169 1.000 7.576 11.985 13.324 -99.200 -91.000 HIS 172 0.900 11.381 12.515 9.307 -99.200 -91.000 TRP 178 1.040 6.591 4.957 9.316 -99.200 -91.000 TRP6 178 1.020 7.072 3.923 11.378 -99.200 -91.000 TRP 191 1.040 12.965 -2.929 19.170 -99.200 -91.000 TRP6 191 1.020 11.294 -1.262 19.413 -99.200 -91.000 PHE 192 1.000 5.407 -3.681 20.019 -99.200 -91.000 PHE 201 1.000 -6.622 6.644 22.138 -99.200 -91.000 PHE 209 1.000 3.084 8.076 17.733 -99.200 -91.000 HIS 210 0.900 7.790 8.933 24.942 -99.200 -91.000 TRP 211 1.040 7.053 2.173 19.769 -99.200 -91.000 TRP6 211 1.020 6.439 1.698 17.542 -99.200 -91.000 HIS 215 0.900 18.794 -4.017 21.497 -99.200 -91.000 HIS 218 0.900 23.074 -0.848 23.297 -99.200 -91.000 TYR 225 0.840 11.620 3.028 17.530 -99.200 -91.000 TYR 262 0.840 19.661 8.236 19.046 -99.200 -91.000 TYR 274 0.840 12.621 15.310 22.806 -99.200 -91.000 PHE 279 1.000 15.239 13.555 27.689 -99.200 -91.000 TYR 282 0.840 26.095 10.214 26.175 -99.200 -91.000 TYR 288 0.840 31.461 16.617 9.000 -99.200 -91.000