============================================================================= 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 8.676 7.326 18.020 -99.200 -91.000 TRP6 14 1.020 7.573 9.275 18.742 -99.200 -91.000 PHE 19 1.000 12.656 -4.323 2.611 -99.200 -91.000 TRP 37 1.040 23.400 11.182 13.563 -99.200 -91.000 TRP6 37 1.020 25.134 9.582 13.426 -99.200 -91.000 HIS 43 0.900 19.358 -7.914 18.953 -99.200 -91.000 TYR 47 0.840 24.035 -13.327 18.595 -99.200 -91.000 TRP 49 1.040 21.808 -16.845 16.344 -99.200 -91.000 TRP6 49 1.020 19.989 -15.428 16.843 -99.200 -91.000 PHE 53 1.000 22.345 -8.432 8.111 -99.200 -91.000 HIS 65 0.900 -0.706 1.446 9.992 -99.200 -91.000 TYR 70 0.840 7.283 2.624 -2.213 -99.200 -91.000 TYR 84 0.840 29.270 6.098 13.094 -99.200 -91.000 HIS 86 0.900 28.976 1.130 23.925 -99.200 -91.000 TYR 89 0.840 26.572 -6.355 20.396 -99.200 -91.000 TRP 91 1.040 30.183 -10.062 19.696 -99.200 -91.000 TRP6 91 1.020 31.153 -12.193 19.428 -99.200 -91.000 PHE 110 1.000 12.495 15.717 11.233 -99.200 -91.000 TYR 113 0.840 1.330 10.197 7.216 -99.200 -91.000 HIS 115 0.900 8.259 15.383 14.840 -99.200 -91.000 TYR 132 0.840 6.384 5.676 37.410 -99.200 -91.000 TRP 139 1.040 5.709 -2.943 10.743 -99.200 -91.000 TRP6 139 1.020 7.313 -1.235 10.955 -99.200 -91.000 PHE 177 1.000 14.025 -0.580 30.193 -99.200 -91.000 TYR 181 0.840 0.710 -5.925 31.686 -99.200 -91.000 PHE 200 1.000 9.674 0.260 27.799 -99.200 -91.000 PHE 206 1.000 7.492 14.941 35.534 -99.200 -91.000 TRP 210 1.040 4.783 10.232 22.834 -99.200 -91.000 TRP6 210 1.020 4.077 8.229 23.865 -99.200 -91.000 TYR 211 0.840 11.846 12.945 27.028 -99.200 -91.000 TRP 218 1.040 18.687 -9.677 26.686 -99.200 -91.000 TRP6 218 1.020 18.229 -11.155 28.464 -99.200 -91.000 TYR 228 0.840 8.875 -10.580 34.204 -99.200 -91.000 PHE 230 1.000 15.910 -9.240 31.018 -99.200 -91.000 TYR 231 0.840 12.002 -3.892 26.373 -99.200 -91.000 HIS 233 0.900 18.788 2.683 31.926 -99.200 -91.000 PHE 235 1.000 20.956 9.141 31.790 -99.200 -91.000 TRP 240 1.040 29.056 4.673 21.489 -99.200 -91.000 TRP6 240 1.020 27.201 4.025 20.183 -99.200 -91.000 PHE 248 1.000 32.644 9.328 13.821 -99.200 -91.000