============================================================================= 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 8.351 7.269 18.331 -99.200 -91.000 TRP6 14 1.020 7.085 9.157 19.043 -99.200 -91.000 PHE 19 1.000 12.576 -4.447 2.927 -99.200 -91.000 TRP 37 1.040 22.901 11.207 14.085 -99.200 -91.000 TRP6 37 1.020 24.679 9.656 13.980 -99.200 -91.000 HIS 43 0.900 19.287 -8.120 19.226 -99.200 -91.000 TYR 47 0.840 23.692 -13.297 18.734 -99.200 -91.000 TRP 49 1.040 21.584 -16.873 16.324 -99.200 -91.000 TRP6 49 1.020 19.593 -15.660 16.634 -99.200 -91.000 PHE 53 1.000 22.227 -8.187 8.148 -99.200 -91.000 HIS 65 0.900 -0.873 1.404 10.179 -99.200 -91.000 TYR 70 0.840 7.107 2.466 -2.129 -99.200 -91.000 TYR 84 0.840 29.064 6.197 13.848 -99.200 -91.000 HIS 86 0.900 28.766 0.905 24.432 -99.200 -91.000 TYR 89 0.840 26.408 -6.407 20.712 -99.200 -91.000 TRP 91 1.040 30.019 -10.082 19.932 -99.200 -91.000 TRP6 91 1.020 31.041 -12.176 19.590 -99.200 -91.000 PHE 110 1.000 12.100 15.563 11.565 -99.200 -91.000 TYR 113 0.840 1.095 10.181 7.337 -99.200 -91.000 HIS 115 0.900 7.937 15.244 15.427 -99.200 -91.000 TYR 132 0.840 5.866 5.301 37.574 -99.200 -91.000 TRP 139 1.040 5.539 -2.952 10.793 -99.200 -91.000 TRP6 139 1.020 7.162 -1.245 11.034 -99.200 -91.000 PHE 176 1.000 13.642 -0.680 30.499 -99.200 -91.000 TYR 180 0.840 0.307 -6.312 31.834 -99.200 -91.000 PHE 199 1.000 9.185 0.112 28.067 -99.200 -91.000 PHE 205 1.000 7.148 14.719 35.976 -99.200 -91.000 TRP 209 1.040 4.245 10.076 23.123 -99.200 -91.000 TRP6 209 1.020 3.485 8.034 24.086 -99.200 -91.000 TYR 210 0.840 11.346 12.680 27.405 -99.200 -91.000 TRP 217 1.040 18.367 -9.942 26.826 -99.200 -91.000 TRP6 217 1.020 17.815 -11.518 28.496 -99.200 -91.000 TYR 227 0.840 8.467 -10.851 34.156 -99.200 -91.000 PHE 229 1.000 15.461 -9.534 31.164 -99.200 -91.000 TYR 230 0.840 11.607 -4.077 26.614 -99.200 -91.000 HIS 232 0.900 18.439 2.528 32.274 -99.200 -91.000 PHE 234 1.000 20.415 9.091 32.201 -99.200 -91.000 TRP 239 1.040 28.685 4.547 22.105 -99.200 -91.000 TRP6 239 1.020 26.837 3.954 20.767 -99.200 -91.000 PHE 247 1.000 31.927 9.208 14.854 -99.200 -91.000