============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 27 1.000 16.035 115.208 -1.184 -99.200 -91.000 PHE 29 1.000 17.839 119.385 -5.277 -99.200 -91.000 TYR 32 0.840 10.617 116.201 -1.405 -99.200 -91.000 TRP 33 1.040 8.208 124.456 -2.860 -99.200 -91.000 TRP6 33 1.020 8.102 126.816 -2.858 -99.200 -91.000 TRP 36 1.040 20.399 128.082 0.559 -99.200 -91.000 TRP6 36 1.020 22.291 126.834 1.243 -99.200 -91.000 TRP 47 1.040 12.657 130.759 5.361 -99.200 -91.000 TRP6 47 1.020 11.803 132.317 3.787 -99.200 -91.000 TYR 60 0.840 16.021 135.569 -2.512 -99.200 -91.000 PHE 68 1.000 20.796 136.868 2.684 -99.200 -91.000 TYR 80 0.840 24.707 125.456 -7.077 -99.200 -91.000 TYR 94 0.840 25.090 131.676 6.025 -99.200 -91.000 TYR 95 0.840 22.083 125.091 10.668 -99.200 -91.000 PHE 101 1.000 4.576 124.345 -1.264 -99.200 -91.000 TYR 104 0.840 -2.579 117.293 -3.361 -99.200 -91.000 HIS 106 0.900 -4.903 123.065 2.559 -99.200 -91.000 TYR 107 0.840 3.287 118.241 7.217 -99.200 -91.000 TYR 111 0.840 14.460 113.769 6.520 -99.200 -91.000 TRP 112 1.040 16.128 121.364 9.475 -99.200 -91.000 TRP6 112 1.020 16.388 123.639 10.042 -99.200 -91.000 PHE 131 1.000 48.888 124.913 25.031 -99.200 -91.000 TYR 154 0.840 39.429 127.558 17.851 -99.200 -91.000 PHE 155 1.000 39.035 134.905 13.457 -99.200 -91.000 TRP 163 1.040 38.324 113.112 23.691 -99.200 -91.000 TRP6 163 1.020 40.289 113.500 24.940 -99.200 -91.000 HIS 173 0.900 29.989 116.033 29.397 -99.200 -91.000 PHE 175 1.000 32.821 121.655 29.198 -99.200 -91.000 TYR 185 0.840 35.600 132.271 18.227 -99.200 -91.000 TYR 203 0.840 42.107 107.285 28.419 -99.200 -91.000 HIS 209 0.900 41.107 126.419 12.817 -99.200 -91.000