============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 27 1.000 12.268 50.057 -25.281 -99.200 -91.000 PHE 29 1.000 7.149 47.960 -27.626 -99.200 -91.000 TYR 32 0.840 16.585 50.474 -28.566 -99.200 -91.000 TRP 36 1.040 7.153 37.516 -27.180 -99.200 -91.000 TRP6 36 1.020 6.387 37.345 -24.974 -99.200 -91.000 TRP 47 1.040 14.612 34.481 -31.391 -99.200 -91.000 TRP6 47 1.020 14.541 33.718 -33.609 -99.200 -91.000 TYR 57 0.840 12.462 44.176 -42.248 -99.200 -91.000 TYR 59 0.840 13.590 38.671 -38.843 -99.200 -91.000 TYR 60 0.840 7.255 34.068 -35.825 -99.200 -91.000 PHE 68 1.000 4.543 29.047 -30.071 -99.200 -91.000 TYR 80 0.840 -0.070 42.883 -27.582 -99.200 -91.000 TYR 93 0.840 7.017 30.603 -24.035 -99.200 -91.000 TYR 94 0.840 12.844 34.633 -18.427 -99.200 -91.000 TYR 101 0.840 19.713 53.228 -31.619 -99.200 -91.000 PHE 106 1.000 17.716 37.900 -27.218 -99.200 -91.000 TYR 108 0.840 18.183 47.172 -20.564 -99.200 -91.000 TRP 109 1.040 17.168 38.453 -20.706 -99.200 -91.000 TRP6 109 1.020 16.865 36.335 -21.531 -99.200 -91.000 TYR 128 0.840 1.631 7.851 0.956 -99.200 -91.000 TYR 151 0.840 3.166 17.845 -6.028 -99.200 -91.000 PHE 152 1.000 -0.778 18.823 -13.633 -99.200 -91.000 TRP 160 1.040 10.485 18.702 7.660 -99.200 -91.000 TRP6 160 1.020 9.521 16.604 7.911 -99.200 -91.000 HIS 170 0.900 19.986 18.041 3.437 -99.200 -91.000 PHE 172 1.000 16.528 15.138 -0.765 -99.200 -91.000 TYR 181 0.840 5.155 18.189 -11.212 -99.200 -91.000 TRP 194 1.040 10.308 11.152 16.272 -99.200 -91.000 TRP6 194 1.020 10.876 8.964 15.687 -99.200 -91.000 HIS 205 0.900 -1.301 20.442 -5.170 -99.200 -91.000