============================================================================= 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. TYR 5 0.840 99.888 48.403 97.923 -99.200 -91.000 PHE 10 1.000 112.641 35.625 89.191 -99.200 -91.000 TYR 19 0.840 116.145 38.374 91.408 -99.200 -91.000 PHE 20 1.000 109.252 40.088 97.337 -99.200 -91.000 PHE 21 1.000 110.513 41.050 88.819 -99.200 -91.000 TYR 26 0.840 115.671 44.387 89.941 -99.200 -91.000 TYR 31 0.840 112.285 34.199 100.806 -99.200 -91.000 TYR 42 0.840 120.476 46.287 92.229 -99.200 -91.000 PHE 51 1.000 116.446 41.632 86.434 -99.200 -91.000 PHE 59 1.000 108.845 41.121 79.055 -99.200 -91.000 TYR 62 0.840 104.693 50.522 78.745 -99.200 -91.000 PHE 68 1.000 106.137 30.235 85.320 -99.200 -91.000 PHE 76 1.000 108.414 30.660 80.133 -99.200 -91.000 PHE 78 1.000 103.809 34.793 81.957 -99.200 -91.000 TYR 79 0.840 103.221 45.624 80.185 -99.200 -91.000 PHE 82 1.000 102.949 41.414 73.189 -99.200 -91.000 TYR 88 0.840 117.088 34.320 88.217 -99.200 -91.000 HIS 91 0.900 125.392 32.669 91.549 -99.200 -91.000 PHE 108 1.000 103.568 29.485 78.845 -99.200 -91.000 PHE 110 1.000 99.060 25.650 78.399 -99.200 -91.000 PHE 111 1.000 97.461 29.557 80.349 -99.200 -91.000 PHE 116 1.000 94.985 31.565 83.621 -99.200 -91.000 TYR 124 0.840 101.977 28.042 93.832 -99.200 -91.000 TYR 133 0.840 99.841 24.165 91.435 -99.200 -91.000 PHE 135 1.000 96.967 30.898 91.886 -99.200 -91.000 TYR 140 0.840 93.619 26.205 90.585 -99.200 -91.000 TYR 145 0.840 109.274 24.196 83.584 -99.200 -91.000 TYR 162 0.840 95.451 27.110 95.437 -99.200 -91.000 PHE 165 1.000 94.979 31.324 99.043 -99.200 -91.000 PHE 170 1.000 96.023 36.366 99.566 -99.200 -91.000 PHE 178 1.000 108.668 34.324 97.263 -99.200 -91.000 HIS 181 0.900 115.153 30.183 98.237 -99.200 -91.000 TYR 187 0.840 106.562 33.659 101.934 -99.200 -91.000 PHE 188 1.000 99.196 31.725 97.017 -99.200 -91.000 PHE 189 1.000 104.234 38.701 98.309 -99.200 -91.000 HIS 193 0.900 95.744 43.098 103.921 -99.200 -91.000 TYR 194 0.840 102.527 37.966 105.272 -99.200 -91.000 TYR 217 0.840 106.669 36.896 107.020 -99.200 -91.000 TRP 218 1.040 109.761 39.264 104.624 -99.200 -91.000 TRP6 218 1.020 108.327 38.525 102.896 -99.200 -91.000