============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 3 0.840 9.474 40.634 -17.133 -99.200 -91.000 PHE 9 1.000 6.222 25.902 -15.732 -99.200 -91.000 TYR 29 0.840 -7.773 21.414 8.506 -99.200 -91.000 PHE 44 1.000 -2.778 11.859 11.088 -99.200 -91.000 PHE 48 1.000 -7.309 15.071 9.840 -99.200 -91.000 HIS 68 0.900 -11.256 19.450 4.182 -99.200 -91.000 PHE 77 1.000 -3.907 25.552 5.559 -99.200 -91.000 PHE 80 1.000 -0.425 15.066 8.493 -99.200 -91.000 TYR 81 0.840 7.559 15.500 12.152 -99.200 -91.000 PHE 88 1.000 6.651 11.706 16.032 -99.200 -91.000 TYR 96 0.840 -3.610 27.952 15.141 -99.200 -91.000 PHE 105 1.000 -0.984 27.411 10.267 -99.200 -91.000 PHE 106 1.000 -3.060 30.719 6.896 -99.200 -91.000 PHE 111 1.000 11.377 33.204 6.251 -99.200 -91.000 PHE 113 1.000 3.483 27.445 -0.857 -99.200 -91.000 PHE 115 1.000 5.462 27.927 -6.952 -99.200 -91.000 PHE 138 1.000 3.225 33.309 -0.870 -99.200 -91.000 TYR 140 0.840 10.351 38.405 -8.058 -99.200 -91.000 TYR 162 0.840 1.287 38.333 -19.448 -99.200 -91.000 TYR 163 0.840 2.864 42.463 -16.941 -99.200 -91.000 HIS 198 0.900 -3.674 28.639 -18.549 -99.200 -91.000 TYR 205 0.840 -5.646 24.399 -16.369 -99.200 -91.000 HIS 209 0.900 -2.570 28.352 -10.583 -99.200 -91.000 TYR 216 0.840 -3.233 29.926 1.235 -99.200 -91.000 TYR 234 0.840 3.525 50.376 2.769 -99.200 -91.000 TYR 242 0.840 12.751 38.170 8.625 -99.200 -91.000 PHE 246 1.000 14.926 36.137 4.310 -99.200 -91.000 TRP 247 1.040 14.544 41.245 -3.616 -99.200 -91.000 TRP6 247 1.020 15.646 41.091 -5.701 -99.200 -91.000 PHE 253 1.000 13.646 20.381 -0.184 -99.200 -91.000 TYR 256 0.840 16.485 22.719 -9.772 -99.200 -91.000 TYR 258 0.840 16.287 15.808 -2.603 -99.200 -91.000 PHE 260 1.000 13.150 15.170 -8.221 -99.200 -91.000 PHE 269 1.000 11.262 16.829 -4.020 -99.200 -91.000 PHE 270 1.000 7.328 13.747 -3.239 -99.200 -91.000 TRP 273 1.040 7.829 20.255 0.931 -99.200 -91.000 TRP6 273 1.020 8.562 22.420 0.435 -99.200 -91.000 TYR 276 0.840 12.131 24.737 3.595 -99.200 -91.000 TYR 277 0.840 5.194 24.371 3.794 -99.200 -91.000