============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. HIS 1 0.900 151.797 -51.931 6.017 -99.200 -91.000 HIS 2 0.900 151.112 -53.907 14.648 -99.200 -91.000 TYR 30 0.840 111.822 -47.345 4.238 -99.200 -91.000 TRP 36 1.040 102.945 -51.668 -5.181 -99.200 -91.000 TRP6 36 1.020 101.084 -50.296 -4.666 -99.200 -91.000 TYR 38 0.840 108.404 -42.171 -8.055 -99.200 -91.000 HIS 40 0.900 100.925 -50.276 -8.320 -99.200 -91.000 PHE 48 1.000 108.240 -39.731 3.432 -99.200 -91.000 PHE 50 1.000 115.346 -41.779 -5.375 -99.200 -91.000 HIS 52 0.900 113.024 -43.154 5.512 -99.200 -91.000 TYR 57 0.840 124.673 -46.138 0.361 -99.200 -91.000 HIS 59 0.900 120.331 -42.216 8.732 -99.200 -91.000 PHE 66 1.000 132.428 -44.926 15.960 -99.200 -91.000 HIS 84 0.900 108.403 -58.694 -6.168 -99.200 -91.000 PHE 86 1.000 105.766 -53.386 -0.895 -99.200 -91.000 PHE 93 1.000 103.928 -44.015 3.553 -99.200 -91.000 TYR 97 0.840 104.695 -46.251 13.625 -99.200 -91.000 HIS 99 0.900 112.581 -51.596 7.997 -99.200 -91.000 HIS 102 0.900 114.092 -54.890 13.236 -99.200 -91.000 HIS 113 0.900 127.038 -55.322 24.411 -99.200 -91.000 HIS 120 0.900 130.005 -44.265 28.604 -99.200 -91.000 PHE 123 1.000 125.378 -42.823 25.576 -99.200 -91.000 PHE 125 1.000 129.291 -42.750 14.987 -99.200 -91.000 TRP 128 1.040 125.531 -39.638 14.187 -99.200 -91.000 TRP6 128 1.020 124.429 -40.706 12.384 -99.200 -91.000 TYR 129 0.840 121.831 -45.017 13.317 -99.200 -91.000 HIS 134 0.900 111.817 -39.311 18.846 -99.200 -91.000 PHE 140 1.000 108.617 -43.747 7.071 -99.200 -91.000 HIS 155 0.900 87.397 -36.819 -5.316 -99.200 -91.000 TYR 158 0.840 94.747 -35.168 -6.003 -99.200 -91.000 TYR 163 0.840 99.914 -34.559 5.313 -99.200 -91.000