============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 9.089 16.477 3.911 -99.200 -91.000 TRP6 14 1.020 8.153 15.801 5.990 -99.200 -91.000 PHE 19 1.000 7.477 17.598 -13.170 -99.200 -91.000 TRP 37 1.040 7.173 31.979 1.025 -99.200 -91.000 TRP6 37 1.020 8.541 33.156 -0.509 -99.200 -91.000 HIS 43 0.900 22.416 22.097 -8.509 -99.200 -91.000 TYR 47 0.840 26.301 24.782 -13.840 -99.200 -91.000 TRP 49 1.040 25.968 21.813 -18.184 -99.200 -91.000 TRP6 49 1.020 25.256 20.182 -16.625 -99.200 -91.000 PHE 53 1.000 15.102 26.240 -16.251 -99.200 -91.000 HIS 65 0.900 4.095 6.177 -3.508 -99.200 -91.000 TYR 70 0.840 -3.501 13.860 -12.337 -99.200 -91.000 TYR 84 0.840 16.300 36.867 -3.266 -99.200 -91.000 HIS 86 0.900 22.839 33.833 -0.321 -99.200 -91.000 TYR 89 0.840 24.352 29.230 -7.643 -99.200 -91.000 TRP 91 1.040 27.394 31.144 -11.599 -99.200 -91.000 TRP6 91 1.020 28.739 30.996 -13.546 -99.200 -91.000 PHE 110 1.000 -0.090 23.206 4.648 -99.200 -91.000 TYR 113 0.840 -2.693 11.248 0.206 -99.200 -91.000 HIS 115 0.900 1.671 18.749 7.853 -99.200 -91.000 TYR 132 0.840 24.165 12.092 15.854 -99.200 -91.000 TRP 139 1.040 9.389 9.623 -8.518 -99.200 -91.000 TRP6 139 1.020 8.572 11.728 -9.201 -99.200 -91.000 PHE 173 1.000 24.658 18.577 5.734 -99.200 -91.000 TYR 177 0.840 25.409 4.306 4.129 -99.200 -91.000 PHE 196 1.000 21.033 14.746 5.248 -99.200 -91.000 PHE 202 1.000 14.277 17.325 24.125 -99.200 -91.000 TRP 206 1.040 9.780 13.122 9.984 -99.200 -91.000 TRP6 206 1.020 11.555 11.729 9.290 -99.200 -91.000 TYR 207 0.840 13.024 20.156 13.627 -99.200 -91.000 TRP 214 1.040 27.298 19.118 -10.110 -99.200 -91.000 TRP6 214 1.020 26.363 20.598 -11.718 -99.200 -91.000 TYR 224 0.840 32.312 10.438 1.481 -99.200 -91.000 PHE 226 1.000 30.933 18.560 -0.655 -99.200 -91.000 TYR 227 0.840 23.233 15.983 1.116 -99.200 -91.000 HIS 229 0.900 24.600 23.954 8.607 -99.200 -91.000 PHE 231 1.000 20.900 27.364 13.063 -99.200 -91.000 TRP 236 1.040 19.108 34.785 1.307 -99.200 -91.000 TRP6 236 1.020 18.017 33.051 0.133 -99.200 -91.000 PHE 244 1.000 10.925 37.779 -3.279 -99.200 -91.000