============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 4 1.000 20.785 4.120 10.631 -99.200 -91.000 TYR 7 0.840 23.594 3.550 22.514 -99.200 -91.000 TYR 14 0.840 17.838 11.580 24.621 -99.200 -91.000 PHE 15 1.000 20.901 9.820 19.944 -99.200 -91.000 PHE 19 1.000 13.196 6.940 15.975 -99.200 -91.000 PHE 23 1.000 17.275 11.483 16.924 -99.200 -91.000 TRP 25 1.040 21.620 16.070 14.895 -99.200 -91.000 TRP6 25 1.020 23.079 17.596 13.829 -99.200 -91.000 TYR 31 0.840 36.174 22.652 11.417 -99.200 -91.000 PHE 36 1.000 33.421 30.125 15.749 -99.200 -91.000 HIS 40 0.900 20.034 24.760 15.507 -99.200 -91.000 TYR 52 0.840 18.657 11.162 9.193 -99.200 -91.000 PHE 61 1.000 34.745 26.665 8.216 -99.200 -91.000 TRP 75 1.040 35.884 14.444 8.761 -99.200 -91.000 TRP6 75 1.020 36.585 16.238 10.138 -99.200 -91.000 TYR 83 0.840 28.210 15.731 29.488 -99.200 -91.000 HIS 104 0.900 46.562 14.314 12.435 -99.200 -91.000 HIS 108 0.900 35.316 21.221 22.270 -99.200 -91.000 HIS 110 0.900 31.727 23.049 22.169 -99.200 -91.000 TYR 113 0.840 23.584 14.411 20.305 -99.200 -91.000 PHE 127 1.000 31.256 11.203 30.875 -99.200 -91.000 HIS 128 0.900 26.580 7.002 26.661 -99.200 -91.000 PHE 129 1.000 34.251 7.467 27.518 -99.200 -91.000 HIS 132 0.900 29.562 8.767 16.475 -99.200 -91.000 TYR 146 0.840 32.120 14.740 -2.259 -99.200 -91.000 TYR 149 0.840 31.663 2.475 7.430 -99.200 -91.000 TYR 156 0.840 28.979 2.144 30.849 -99.200 -91.000 HIS 166 0.900 33.364 4.992 40.848 -99.200 -91.000