============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 2 1.000 19.795-135.622 42.719 -99.200 -91.000 TYR 5 0.840 15.011-135.540 34.457 -99.200 -91.000 PHE 20 1.000 -18.213-133.322 24.176 -99.200 -91.000 TYR 33 0.840 7.343-153.784 41.575 -99.200 -91.000 TYR 39 0.840 -8.740-137.224 44.613 -99.200 -91.000 PHE 44 1.000 -3.560-129.850 38.815 -99.200 -91.000 PHE 57 1.000 10.621-135.769 38.709 -99.200 -91.000 PHE 68 1.000 -1.182-122.679 30.329 -99.200 -91.000 TRP 74 1.040 2.706-112.222 35.466 -99.200 -91.000 TRP6 74 1.020 3.064-109.967 36.046 -99.200 -91.000 TYR 75 0.840 -3.138-113.420 26.729 -99.200 -91.000 HIS 76 0.900 -6.437-113.706 32.428 -99.200 -91.000 PHE 77 1.000 -1.839-109.197 37.064 -99.200 -91.000 HIS 79 0.900 -1.272-109.102 25.763 -99.200 -91.000 HIS 95 0.900 8.096-120.090 22.157 -99.200 -91.000 TYR 98 0.840 13.390-126.378 21.594 -99.200 -91.000 PHE 102 1.000 20.046-127.777 24.366 -99.200 -91.000 PHE 103 1.000 17.570-130.442 34.683 -99.200 -91.000 TYR 105 0.840 9.524-127.922 32.850 -99.200 -91.000 TYR 106 0.840 12.944-137.639 31.923 -99.200 -91.000 HIS 108 0.900 5.418-138.313 26.965 -99.200 -91.000 TYR 123 0.840 -4.034-127.062 20.372 -99.200 -91.000 PHE 125 1.000 1.405-128.783 24.470 -99.200 -91.000 TYR 131 0.840 2.075-126.351 19.372 -99.200 -91.000 PHE 149 1.000 -11.717-148.896 23.538 -99.200 -91.000 PHE 156 1.000 -16.610-143.891 14.097 -99.200 -91.000 TYR 160 0.840 -12.595-150.645 5.139 -99.200 -91.000 TYR 173 0.840 -16.085-136.129 16.776 -99.200 -91.000 PHE 187 1.000 -8.228-143.200 32.303 -99.200 -91.000 HIS 194 0.900 1.045-149.569 33.278 -99.200 -91.000 PHE 215 1.000 -12.987-140.124 42.184 -99.200 -91.000 TYR 216 0.840 -17.640-141.837 36.495 -99.200 -91.000