============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 9 0.840 32.368 27.938 55.492 -99.200 -91.000 TYR 11 0.840 28.817 36.513 60.066 -99.200 -91.000 PHE 15 1.000 35.844 34.551 48.396 -99.200 -91.000 PHE 88 1.000 21.147 26.085 47.742 -99.200 -91.000 PHE 89 1.000 26.043 33.543 49.645 -99.200 -91.000 TYR 101 0.840 12.298 25.402 45.335 -99.200 -91.000 TYR 105 0.840 17.071 31.150 40.000 -99.200 -91.000 TYR 106 0.840 27.011 28.142 43.096 -99.200 -91.000 HIS 125 0.900 55.778 33.783 39.618 -99.200 -91.000 TRP 126 1.040 59.580 24.525 37.028 -99.200 -91.000 TRP6 126 1.020 60.468 23.638 39.031 -99.200 -91.000 TRP 132 1.040 61.890 29.091 42.913 -99.200 -91.000 TRP6 132 1.020 59.758 29.801 42.218 -99.200 -91.000 PHE 142 1.000 52.329 18.451 43.877 -99.200 -91.000 HIS 151 0.900 34.317 24.565 48.582 -99.200 -91.000 TYR 160 0.840 40.375 20.743 35.912 -99.200 -91.000 TRP 182 1.040 37.744 25.700 52.350 -99.200 -91.000 TRP6 182 1.020 38.708 25.761 50.194 -99.200 -91.000 TRP 194 1.040 53.163 17.837 55.107 -99.200 -91.000 TRP6 194 1.020 51.727 19.114 53.749 -99.200 -91.000 HIS 224 0.900 60.493 23.925 60.292 -99.200 -91.000 PHE 232 1.000 53.466 29.793 42.966 -99.200 -91.000 PHE 265 1.000 20.821 43.294 47.844 -99.200 -91.000 TRP 283 1.040 24.220 40.210 38.152 -99.200 -91.000 TRP6 283 1.020 26.563 40.255 38.440 -99.200 -91.000 TYR 294 0.840 38.118 31.472 40.598 -99.200 -91.000 PHE 305 1.000 44.493 42.126 39.854 -99.200 -91.000