============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 14 1.000 32.012 9.875 32.953 -99.200 -91.000 TYR 15 0.840 30.669 14.503 32.721 -99.200 -91.000 PHE 16 1.000 37.703 16.065 26.762 -99.200 -91.000 HIS 28 0.900 35.250 13.123 45.396 -99.200 -91.000 PHE 31 1.000 28.972 12.991 37.520 -99.200 -91.000 TYR 33 0.840 36.803 14.723 40.611 -99.200 -91.000 PHE 42 1.000 41.404 18.891 31.900 -99.200 -91.000 HIS 65 0.900 28.483 10.613 12.019 -99.200 -91.000 TYR 73 0.840 41.385 9.921 34.174 -99.200 -91.000 PHE 83 1.000 39.589 16.089 19.716 -99.200 -91.000 PHE 88 1.000 43.358 19.846 19.128 -99.200 -91.000 PHE 108 1.000 40.078 1.801 6.572 -99.200 -91.000 PHE 114 1.000 43.726 11.911 4.476 -99.200 -91.000 HIS 124 0.900 44.450 15.094 20.173 -99.200 -91.000 TYR 129 0.840 38.606 6.473 17.734 -99.200 -91.000 TYR 154 0.840 43.152 -3.721 7.654 -99.200 -91.000 PHE 166 1.000 34.711 -5.778 30.035 -99.200 -91.000 TYR 174 0.840 28.412 -4.784 45.485 -99.200 -91.000 HIS 189 0.900 36.846 -1.829 34.415 -99.200 -91.000 TYR 209 0.840 32.188 -7.493 42.529 -99.200 -91.000 TRP 212 1.040 26.663 -9.682 45.453 -99.200 -91.000 TRP6 212 1.020 26.559 -8.496 43.430 -99.200 -91.000 TYR 226 0.840 23.881 -13.986 31.217 -99.200 -91.000 PHE 230 1.000 31.996 -14.137 37.245 -99.200 -91.000 HIS 231 0.900 37.901 -7.881 31.017 -99.200 -91.000 TYR 235 0.840 41.700 0.288 37.056 -99.200 -91.000 PHE 242 1.000 48.029 -11.230 47.192 -99.200 -91.000 TYR 251 0.840 43.563 -12.694 45.271 -99.200 -91.000 PHE 262 1.000 28.525 -18.102 36.219 -99.200 -91.000 HIS 263 0.900 37.875 -18.381 31.247 -99.200 -91.000 TRP 300 1.040 54.132 -0.046 32.489 -99.200 -91.000 TRP6 300 1.020 55.467 1.883 32.250 -99.200 -91.000 PHE 309 1.000 58.264 -5.715 24.844 -99.200 -91.000 PHE 310 1.000 52.884 -5.795 27.411 -99.200 -91.000 HIS 317 0.900 46.413 -16.506 29.863 -99.200 -91.000 TYR 336 0.840 52.193 -9.011 15.614 -99.200 -91.000 TYR 344 0.840 38.683 -4.981 26.368 -99.200 -91.000