============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 28 1.000 97.562 75.289 83.826 -99.200 -91.000 TYR 31 0.840 99.923 67.660 78.365 -99.200 -91.000 PHE 33 1.000 101.681 73.741 80.690 -99.200 -91.000 TRP 35 1.040 108.255 80.116 80.669 -99.200 -91.000 TRP6 35 1.020 106.970 79.008 82.317 -99.200 -91.000 HIS 42 0.900 124.787 83.452 69.677 -99.200 -91.000 TRP 46 1.040 114.590 73.567 82.030 -99.200 -91.000 TRP6 46 1.020 115.290 73.287 84.272 -99.200 -91.000 PHE 54 1.000 101.972 65.368 89.701 -99.200 -91.000 TYR 59 0.840 114.895 78.693 90.571 -99.200 -91.000 PHE 63 1.000 118.420 81.709 83.845 -99.200 -91.000 PHE 69 1.000 110.113 79.180 86.460 -99.200 -91.000 TYR 79 0.840 100.470 84.354 83.847 -99.200 -91.000 TYR 93 0.840 113.441 85.061 77.995 -99.200 -91.000 TYR 94 0.840 111.634 79.301 71.115 -99.200 -91.000 PHE 99 1.000 104.883 63.015 77.218 -99.200 -91.000 TRP 103 1.040 104.368 53.174 84.670 -99.200 -91.000 TRP6 103 1.020 103.952 51.990 82.660 -99.200 -91.000 TYR 109 0.840 108.991 50.386 86.888 -99.200 -91.000 PHE 116 1.000 109.891 63.204 76.412 -99.200 -91.000 PHE 118 1.000 102.041 72.591 70.965 -99.200 -91.000 TRP 119 1.040 109.737 72.761 71.938 -99.200 -91.000 TRP6 119 1.020 111.679 73.739 72.867 -99.200 -91.000 PHE 138 1.000 108.713 103.934 53.365 -99.200 -91.000 TYR 161 0.840 112.080 96.183 62.371 -99.200 -91.000 PHE 162 1.000 115.832 98.915 69.708 -99.200 -91.000 TRP 170 1.040 103.867 88.773 51.418 -99.200 -91.000 TRP6 170 1.020 103.678 90.759 50.149 -99.200 -91.000 HIS 180 0.900 112.396 83.227 48.767 -99.200 -91.000 PHE 182 1.000 115.555 89.035 50.923 -99.200 -91.000 TYR 192 0.840 117.321 95.377 64.831 -99.200 -91.000 TYR 210 0.840 99.259 89.479 44.491 -99.200 -91.000 HIS 216 0.900 108.205 96.715 66.181 -99.200 -91.000