============================================================================= 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. PHE 12 1.000 17.806 -22.472 -20.785 -99.200 -91.000 TRP 14 1.040 13.936 -17.688 -22.741 -99.200 -91.000 TRP6 14 1.020 14.740 -18.537 -24.793 -99.200 -91.000 PHE 25 1.000 11.615 -10.633 -5.672 -99.200 -91.000 TRP 35 1.040 5.417 -3.650 -21.526 -99.200 -91.000 TRP6 35 1.020 4.045 -3.263 -19.641 -99.200 -91.000 HIS 41 0.900 4.483 -16.832 -6.176 -99.200 -91.000 HIS 55 0.900 26.268 -18.414 -16.793 -99.200 -91.000 HIS 62 0.900 32.524 -6.771 -17.822 -99.200 -91.000 HIS 75 0.900 -5.860 -12.293 -15.040 -99.200 -91.000 HIS 76 0.900 -8.272 -9.262 -15.595 -99.200 -91.000 TYR 78 0.840 -1.976 -13.254 -7.146 -99.200 -91.000 TYR 85 0.840 -0.946 -20.955 -3.444 -99.200 -91.000 HIS 87 0.900 -7.460 -16.281 -12.651 -99.200 -91.000 TYR 103 0.840 25.983 -13.225 -24.120 -99.200 -91.000 TYR 114 0.840 -0.369 -23.543 -34.152 -99.200 -91.000 PHE 118 1.000 3.968 -24.253 -30.716 -99.200 -91.000 PHE 121 1.000 4.513 -29.760 -30.068 -99.200 -91.000 TYR 125 0.840 14.802 -28.274 -22.021 -99.200 -91.000 TRP 129 1.040 20.494 -17.336 -11.385 -99.200 -91.000 TRP6 129 1.020 19.450 -16.227 -13.199 -99.200 -91.000 PHE 133 1.000 20.935 -29.901 -2.544 -99.200 -91.000 HIS 134 0.900 11.416 -28.938 1.307 -99.200 -91.000 TYR 144 0.840 19.737 -26.969 -18.967 -99.200 -91.000 PHE 161 1.000 -2.806 -27.319 -0.534 -99.200 -91.000 PHE 168 1.000 1.960 -26.406 -17.545 -99.200 -91.000 PHE 172 1.000 11.612 -35.890 -14.698 -99.200 -91.000 HIS 173 0.900 4.775 -40.182 -13.384 -99.200 -91.000 HIS 188 0.900 6.520 -25.831 -19.187 -99.200 -91.000 PHE 197 1.000 6.776 -20.456 -30.581 -99.200 -91.000 TRP 204 1.040 0.285 -23.628 -7.139 -99.200 -91.000 TRP6 204 1.020 -0.614 -25.516 -6.020 -99.200 -91.000 TYR 214 0.840 3.358 -35.462 -10.614 -99.200 -91.000 TYR 217 0.840 5.820 -25.788 -13.888 -99.200 -91.000 TYR 223 0.840 -3.977 -16.448 -17.079 -99.200 -91.000 TRP 226 1.040 -3.847 -9.465 -18.650 -99.200 -91.000 TRP6 226 1.020 -1.826 -10.104 -17.610 -99.200 -91.000