============================================================================= 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. TRP 12 1.040 -41.467 -45.067 39.660 -99.200 -91.000 TRP6 12 1.020 -39.323 -44.490 40.473 -99.200 -91.000 TRP 14 1.040 -42.151 -39.022 42.441 -99.200 -91.000 TRP6 14 1.020 -42.141 -40.610 44.186 -99.200 -91.000 HIS 19 0.900 -52.445 -37.031 27.875 -99.200 -91.000 HIS 25 0.900 -46.470 -38.189 28.206 -99.200 -91.000 TRP 36 1.040 -47.679 -23.991 43.227 -99.200 -91.000 TRP6 36 1.020 -47.433 -22.518 41.399 -99.200 -91.000 HIS 42 0.900 -37.643 -29.300 26.778 -99.200 -91.000 TYR 44 0.840 -44.848 -26.805 30.071 -99.200 -91.000 PHE 49 1.000 -51.654 -27.000 21.044 -99.200 -91.000 TYR 51 0.840 -47.121 -27.638 21.903 -99.200 -91.000 TRP 57 1.040 -49.784 -27.251 28.118 -99.200 -91.000 TRP6 57 1.020 -48.366 -29.013 27.465 -99.200 -91.000 PHE 60 1.000 -55.279 -36.954 31.612 -99.200 -91.000 HIS 64 0.900 -49.019 -48.688 35.935 -99.200 -91.000 HIS 85 0.900 -34.788 -19.484 36.180 -99.200 -91.000 PHE 87 1.000 -31.838 -14.984 35.220 -99.200 -91.000 PHE 88 1.000 -36.137 -22.586 28.077 -99.200 -91.000 PHE 91 1.000 -28.351 -21.216 19.523 -99.200 -91.000 PHE 93 1.000 -33.713 -27.498 25.103 -99.200 -91.000 TYR 95 0.840 -30.000 -20.052 34.432 -99.200 -91.000 TYR 108 0.840 -50.932 -34.694 48.937 -99.200 -91.000 HIS 122 0.900 -29.959 -33.580 48.788 -99.200 -91.000 PHE 124 1.000 -29.627 -35.222 44.552 -99.200 -91.000 TRP 131 1.040 -34.266 -45.406 40.693 -99.200 -91.000 TRP6 131 1.020 -34.625 -47.514 39.705 -99.200 -91.000 TRP 135 1.040 -46.817 -42.988 30.713 -99.200 -91.000 TRP6 135 1.020 -47.013 -41.699 32.688 -99.200 -91.000 HIS 137 0.900 -40.738 -40.940 20.792 -99.200 -91.000 TYR 140 0.840 -33.370 -40.419 17.244 -99.200 -91.000 PHE 178 1.000 -25.876 -46.953 33.297 -99.200 -91.000 PHE 204 1.000 -34.226 -35.917 50.159 -99.200 -91.000 TRP 211 1.040 -29.776 -30.524 26.960 -99.200 -91.000 TRP6 211 1.020 -27.861 -31.175 25.804 -99.200 -91.000 TYR 224 0.840 -31.693 -36.720 33.413 -99.200 -91.000 PHE 230 1.000 -33.054 -23.580 38.413 -99.200 -91.000 TRP 233 1.040 -37.437 -18.997 39.904 -99.200 -91.000 TRP6 233 1.020 -38.435 -20.824 38.803 -99.200 -91.000