============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 39 0.840 95.682 100.701 -3.784 -99.200 -91.000 PHE 41 1.000 95.485 94.152 -6.774 -99.200 -91.000 TYR 46 0.840 90.366 76.593 -10.636 -99.200 -91.000 TYR 81 0.840 56.989 71.632 24.454 -99.200 -91.000 TYR 82 0.840 58.716 76.191 24.696 -99.200 -91.000 HIS 90 0.900 79.173 74.322 1.852 -99.200 -91.000 PHE 92 1.000 85.404 84.133 -1.024 -99.200 -91.000 PHE 94 1.000 90.634 84.574 -5.247 -99.200 -91.000 TYR 100 0.840 88.383 87.773 -13.149 -99.200 -91.000 TYR 118 0.840 68.129 86.784 0.797 -99.200 -91.000 TYR 119 0.840 66.044 83.714 4.287 -99.200 -91.000 PHE 130 1.000 52.534 82.015 -10.510 -99.200 -91.000 PHE 138 1.000 48.698 81.555 -19.118 -99.200 -91.000 PHE 141 1.000 42.959 85.459 -22.538 -99.200 -91.000 PHE 159 1.000 51.832 83.769 -5.023 -99.200 -91.000 TYR 160 0.840 57.085 79.245 -0.046 -99.200 -91.000 PHE 163 1.000 56.043 79.314 -6.804 -99.200 -91.000 TYR 182 0.840 38.223 79.344 -18.731 -99.200 -91.000 TYR 187 0.840 45.594 73.290 -9.516 -99.200 -91.000 TYR 191 0.840 44.247 80.605 -1.064 -99.200 -91.000 PHE 196 1.000 45.275 73.734 -2.582 -99.200 -91.000