============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TYR 26 0.840 24.630 42.340 -43.655 -99.200 -91.000 TYR 35 0.840 37.645 58.370 -43.887 -99.200 -91.000 PHE 54 1.000 19.353 48.085 -54.992 -99.200 -91.000 HIS 59 0.900 35.718 44.593 -51.087 -99.200 -91.000 TYR 69 0.840 23.479 45.554 -28.938 -99.200 -91.000 HIS 70 0.900 24.859 43.598 -25.164 -99.200 -91.000 PHE 72 1.000 31.390 46.633 -30.992 -99.200 -91.000 PHE 99 1.000 41.793 27.852 -44.333 -99.200 -91.000 PHE 105 1.000 32.677 32.018 -49.793 -99.200 -91.000 HIS 111 0.900 28.048 34.665 -54.310 -99.200 -91.000 PHE 116 1.000 29.897 46.028 -45.098 -99.200 -91.000 TRP 120 1.040 21.519 55.019 -42.213 -99.200 -91.000 TRP6 120 1.020 19.952 53.298 -41.789 -99.200 -91.000 TRP 121 1.040 26.911 47.967 -41.895 -99.200 -91.000 TRP6 121 1.020 28.706 49.515 -42.068 -99.200 -91.000 TYR 122 0.840 19.968 49.341 -37.708 -99.200 -91.000 TYR 127 0.840 29.372 38.038 -38.702 -99.200 -91.000 TRP 165 1.040 61.640 27.715 -43.666 -99.200 -91.000 TRP6 165 1.020 60.227 29.615 -43.758 -99.200 -91.000 PHE 189 1.000 51.259 38.823 -49.530 -99.200 -91.000 PHE 193 1.000 56.389 37.401 -46.226 -99.200 -91.000 TYR 196 0.840 54.817 38.968 -39.345 -99.200 -91.000 TRP 201 1.040 66.206 40.908 -53.503 -99.200 -91.000 TRP6 201 1.020 66.940 39.805 -51.545 -99.200 -91.000 TYR 223 0.840 61.835 47.516 -58.193 -99.200 -91.000 TYR 224 0.840 65.750 41.103 -61.185 -99.200 -91.000 TYR 230 0.840 61.591 37.368 -62.057 -99.200 -91.000 PHE 240 1.000 64.536 35.751 -53.969 -99.200 -91.000 PHE 270 1.000 46.640 38.026 -51.532 -99.200 -91.000 PHE 272 1.000 41.590 36.019 -56.391 -99.200 -91.000 TYR 282 0.840 61.233 15.186 -67.967 -99.200 -91.000 HIS 290 0.900 64.603 14.034 -56.584 -99.200 -91.000 HIS 305 0.900 43.477 35.683 -40.297 -99.200 -91.000 PHE 306 1.000 38.779 42.257 -41.670 -99.200 -91.000 HIS 312 0.900 51.490 43.146 -37.813 -99.200 -91.000 TRP 316 1.040 53.534 48.469 -40.711 -99.200 -91.000 TRP6 316 1.020 52.073 47.667 -42.383 -99.200 -91.000 TYR 320 0.840 58.640 49.564 -41.654 -99.200 -91.000 HIS 349 0.900 51.938 53.690 -63.395 -99.200 -91.000 TRP 358 1.040 30.166 57.152 -47.560 -99.200 -91.000 TRP6 358 1.020 28.046 56.921 -48.583 -99.200 -91.000