============================================================================= 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. TYR 11 0.840 43.022 36.963 116.393 -99.200 -91.000 PHE 22 1.000 50.938 33.242 107.558 -99.200 -91.000 PHE 26 1.000 58.728 36.585 104.983 -99.200 -91.000 TYR 32 0.840 53.555 38.051 108.052 -99.200 -91.000 PHE 40 1.000 59.944 50.894 94.917 -99.200 -91.000 TYR 43 0.840 54.297 65.885 94.085 -99.200 -91.000 TYR 48 0.840 53.943 66.285 97.596 -99.200 -91.000 TYR 56 0.840 50.343 58.762 90.044 -99.200 -91.000 TYR 72 0.840 73.913 61.937 97.288 -99.200 -91.000 TYR 81 0.840 79.638 57.650 90.798 -99.200 -91.000 PHE 82 1.000 75.049 57.570 93.467 -99.200 -91.000 TYR 86 0.840 77.252 52.015 94.682 -99.200 -91.000 TYR 90 0.840 63.521 52.283 87.368 -99.200 -91.000 TYR 103 0.840 43.812 42.361 100.000 -99.200 -91.000 TYR 114 0.840 55.555 49.404 107.597 -99.200 -91.000 PHE 124 1.000 71.247 57.106 110.537 -99.200 -91.000 HIS 128 0.900 53.509 54.171 107.386 -99.200 -91.000 TRP 133 1.040 47.623 51.447 115.730 -99.200 -91.000 TRP6 133 1.020 49.089 52.151 117.366 -99.200 -91.000 PHE 138 1.000 44.271 48.774 104.894 -99.200 -91.000 PHE 149 1.000 64.547 61.010 107.070 -99.200 -91.000 TYR 156 0.840 69.850 44.515 97.047 -99.200 -91.000 PHE 166 1.000 48.912 41.737 112.446 -99.200 -91.000 TYR 177 0.840 40.505 52.475 105.454 -99.200 -91.000 TYR 185 0.840 44.813 56.330 100.938 -99.200 -91.000 TYR 187 0.840 38.015 45.975 99.076 -99.200 -91.000 HIS 197 0.900 41.794 64.828 94.720 -99.200 -91.000