============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TRP 12 1.040 -24.123 -6.865 3.241 -99.200 -91.000 TRP6 12 1.020 -23.309 -7.706 1.183 -99.200 -91.000 TRP 14 1.040 -18.008 -9.444 4.521 -99.200 -91.000 TRP6 14 1.020 -19.172 -11.309 3.647 -99.200 -91.000 TYR 20 0.840 -8.658 7.266 19.246 -99.200 -91.000 HIS 24 0.900 -18.336 3.479 12.428 -99.200 -91.000 TRP 35 1.040 -4.544 -12.068 11.875 -99.200 -91.000 TRP6 35 1.020 -3.070 -10.329 12.505 -99.200 -91.000 HIS 41 0.900 -8.384 5.922 5.325 -99.200 -91.000 PHE 43 1.000 -7.050 1.278 12.237 -99.200 -91.000 HIS 47 0.900 -6.059 8.327 16.907 -99.200 -91.000 HIS 48 0.900 -1.761 6.570 23.615 -99.200 -91.000 TYR 52 0.840 -7.655 2.821 17.143 -99.200 -91.000 HIS 59 0.900 -29.511 -4.373 10.395 -99.200 -91.000 TYR 64 0.840 -27.890 -6.907 24.379 -99.200 -91.000 HIS 79 0.900 2.370 -3.088 2.612 -99.200 -91.000 TYR 82 0.840 -1.313 5.171 4.623 -99.200 -91.000 PHE 102 1.000 -14.556 -17.505 12.010 -99.200 -91.000 TYR 105 0.840 -27.264 -12.899 13.522 -99.200 -91.000 PHE 118 1.000 -12.183 -9.843 -7.459 -99.200 -91.000 HIS 123 0.900 -24.211 -4.259 -11.765 -99.200 -91.000 TRP 129 1.040 -23.442 0.376 11.001 -99.200 -91.000 TRP6 129 1.020 -21.955 -1.460 11.166 -99.200 -91.000 HIS 131 0.900 -21.267 11.712 8.435 -99.200 -91.000 TYR 161 0.840 -11.787 10.806 -7.345 -99.200 -91.000 HIS 171 0.900 -9.162 13.196 -3.728 -99.200 -91.000 PHE 172 1.000 -1.824 8.558 -9.527 -99.200 -91.000 TYR 182 0.840 -23.815 3.795 -9.509 -99.200 -91.000 TRP 206 1.040 -21.410 -12.856 -1.659 -99.200 -91.000 TRP6 206 1.020 -22.081 -10.869 -2.751 -99.200 -91.000 TYR 207 0.840 -13.586 -14.897 -4.093 -99.200 -91.000 TRP 214 1.040 -11.619 10.511 -1.351 -99.200 -91.000 TRP6 214 1.020 -11.141 11.812 0.565 -99.200 -91.000 TYR 227 0.840 -14.327 0.901 -2.887 -99.200 -91.000 TYR 233 0.840 -1.236 -3.948 -0.404 -99.200 -91.000 TRP 236 1.040 1.987 -7.151 4.867 -99.200 -91.000 TRP6 236 1.020 0.019 -6.070 5.616 -99.200 -91.000