============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 202.184 31.754 -70.294 -99.200 -91.000 PHE 5 1.000 201.021 23.712 -64.893 -99.200 -91.000 TYR 28 0.840 216.525 44.882 -55.340 -99.200 -91.000 TYR 44 0.840 217.406 55.025 -38.903 -99.200 -91.000 TYR 48 0.840 221.542 60.745 -34.240 -99.200 -91.000 TYR 50 0.840 214.991 67.648 -40.809 -99.200 -91.000 HIS 51 0.900 214.889 62.825 -32.101 -99.200 -91.000 PHE 54 1.000 212.817 67.846 -29.527 -99.200 -91.000 TYR 56 0.840 220.236 76.027 -30.847 -99.200 -91.000 PHE 57 1.000 216.001 76.213 -33.598 -99.200 -91.000 PHE 70 1.000 209.553 72.003 -39.997 -99.200 -91.000 PHE 71 1.000 214.075 72.370 -37.472 -99.200 -91.000 HIS 81 0.900 210.091 60.686 -45.634 -99.200 -91.000 TYR 88 0.840 211.385 48.735 -53.426 -99.200 -91.000 PHE 108 1.000 221.551 72.601 -35.434 -99.200 -91.000 HIS 110 0.900 224.843 82.626 -39.323 -99.200 -91.000 HIS 118 0.900 223.065 78.329 -39.430 -99.200 -91.000 HIS 138 0.900 214.467 57.637 -61.748 -99.200 -91.000 PHE 152 1.000 209.650 52.278 -52.953 -99.200 -91.000 TYR 157 0.840 210.998 57.277 -50.495 -99.200 -91.000 TYR 171 0.840 207.799 76.112 -42.921 -99.200 -91.000 HIS 182 0.900 206.468 91.355 -32.206 -99.200 -91.000 TRP 185 1.040 207.610 84.629 -29.319 -99.200 -91.000 TRP6 185 1.020 205.436 85.547 -29.381 -99.200 -91.000 HIS 186 0.900 203.020 87.206 -35.481 -99.200 -91.000 PHE 187 1.000 208.279 80.842 -39.766 -99.200 -91.000 HIS 193 0.900 199.317 77.972 -31.802 -99.200 -91.000