============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 90 rings ring int. center anis. iso. PHE 10 1.000 30.631 70.023 -24.566 -99.200 -91.000 PHE 19 1.000 26.497 79.880 -37.567 -99.200 -91.000 HIS 31 0.900 25.011 65.017 -37.144 -99.200 -91.000 PHE 33 1.000 27.996 69.528 -29.283 -99.200 -91.000 TYR 53 0.840 27.914 75.256 -35.926 -99.200 -91.000 PHE 57 1.000 33.449 63.954 -44.978 -99.200 -91.000 TYR 68 0.840 32.031 80.170 -18.570 -99.200 -91.000 TRP 76 1.040 28.869 71.873 -17.302 -99.200 -91.000 TRP6 76 1.020 31.213 71.563 -17.568 -99.200 -91.000 TYR 106 0.840 48.709 81.061 -23.978 -99.200 -91.000 TYR 112 0.840 42.687 72.347 -42.962 -99.200 -91.000 TYR 118 0.840 42.015 63.825 -41.617 -99.200 -91.000 TRP 119 1.040 45.547 66.584 -41.265 -99.200 -91.000 TRP6 119 1.020 47.787 67.147 -40.819 -99.200 -91.000 HIS 122 0.900 44.165 69.412 -47.822 -99.200 -91.000 TRP 128 1.040 47.402 74.307 -42.400 -99.200 -91.000 TRP6 128 1.020 49.532 75.326 -42.393 -99.200 -91.000 TRP 152 1.040 36.773 82.105 -25.504 -99.200 -91.000 TRP6 152 1.020 38.605 80.646 -25.366 -99.200 -91.000 PHE 161 1.000 56.128 82.945 -35.169 -99.200 -91.000 PHE 162 1.000 54.772 74.177 -41.571 -99.200 -91.000 HIS 170 0.900 61.702 71.223 -50.418 -99.200 -91.000 PHE 174 1.000 52.345 74.061 -37.396 -99.200 -91.000 TYR 191 0.840 49.647 74.469 -28.262 -99.200 -91.000 PHE 203 1.000 57.374 65.344 -40.263 -99.200 -91.000 PHE 207 1.000 54.274 75.880 -33.288 -99.200 -91.000 TYR 208 0.840 60.877 75.447 -28.206 -99.200 -91.000 TRP 216 1.040 53.946 80.059 -30.854 -99.200 -91.000 TRP6 216 1.020 53.436 78.392 -29.276 -99.200 -91.000 PHE 218 1.000 57.368 73.540 -36.250 -99.200 -91.000 PHE 225 1.000 59.351 60.153 -42.545 -99.200 -91.000 TRP 235 1.040 58.319 60.336 -15.146 -99.200 -91.000 TRP6 235 1.020 56.484 60.123 -13.659 -99.200 -91.000 TYR 247 0.840 44.953 50.852 -40.715 -99.200 -91.000 TYR 253 0.840 59.253 58.419 -30.884 -99.200 -91.000 TRP 262 1.040 61.610 64.186 -31.155 -99.200 -91.000 TRP6 262 1.020 59.299 63.807 -31.140 -99.200 -91.000 TRP 273 1.040 48.878 51.372 -23.030 -99.200 -91.000 TRP6 273 1.020 50.354 53.040 -22.218 -99.200 -91.000 PHE 288 1.000 51.439 59.883 -21.526 -99.200 -91.000 PHE 301 1.000 47.552 55.707 -23.227 -99.200 -91.000 HIS 303 0.900 44.094 53.526 -28.033 -99.200 -91.000 PHE 307 1.000 37.475 43.680 -26.651 -99.200 -91.000 TRP 311 1.040 38.971 55.254 -38.701 -99.200 -91.000 TRP6 311 1.020 38.599 54.194 -40.780 -99.200 -91.000 TRP 319 1.040 45.376 51.399 -20.214 -99.200 -91.000 TRP6 319 1.020 46.003 49.146 -19.943 -99.200 -91.000 TYR 327 0.840 45.450 48.258 -11.466 -99.200 -91.000 TYR 341 0.840 39.121 60.601 -31.563 -99.200 -91.000 TYR 346 0.840 43.674 63.970 -8.396 -99.200 -91.000 TYR 352 0.840 35.409 66.128 -11.662 -99.200 -91.000 HIS 355 0.900 33.283 58.446 -22.445 -99.200 -91.000 TYR 363 0.840 31.312 60.545 -33.663 -99.200 -91.000 PHE 367 1.000 31.952 66.797 -15.937 -99.200 -91.000 TRP 384 1.