============================================================================= 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 89.820 34.825 69.480 -99.200 -91.000 PHE 29 1.000 88.348 34.298 63.158 -99.200 -91.000 PHE 32 1.000 90.135 40.243 69.728 -99.200 -91.000 HIS 35 0.900 99.635 39.438 63.956 -99.200 -91.000 TRP 36 1.040 98.173 32.087 59.153 -99.200 -91.000 TRP6 36 1.020 98.254 29.926 60.140 -99.200 -91.000 TRP 47 1.040 103.924 39.014 61.132 -99.200 -91.000 TRP6 47 1.020 103.908 40.019 58.995 -99.200 -91.000 TYR 50 0.840 97.079 42.381 61.123 -99.200 -91.000 TYR 58 0.840 99.850 45.374 57.285 -99.200 -91.000 TYR 59 0.840 99.911 38.270 51.914 -99.200 -91.000 PHE 67 1.000 103.816 30.949 52.219 -99.200 -91.000 PHE 79 1.000 90.212 28.727 55.758 -99.200 -91.000 TYR 93 0.840 104.360 27.579 57.710 -99.200 -91.000 TYR 94 0.840 104.036 27.240 66.342 -99.200 -91.000 TYR 100 0.840 101.999 38.053 67.972 -99.200 -91.000 TYR 101 0.840 94.450 35.701 76.049 -99.200 -91.000 TYR 107 0.840 92.955 16.607 75.741 -99.200 -91.000 TRP 108 1.040 96.832 18.591 67.651 -99.200 -91.000 TRP6 108 1.020 94.536 18.361 67.118 -99.200 -91.000 TYR 126 0.840 112.514 -2.577 64.874 -99.200 -91.000 TYR 149 0.840 109.954 9.053 62.158 -99.200 -91.000 PHE 150 1.000 110.756 12.838 54.619 -99.200 -91.000 TRP 158 1.040 106.129 5.370 76.711 -99.200 -91.000 TRP6 158 1.020 107.179 3.317 76.246 -99.200 -91.000 HIS 168 0.900 113.489 11.572 80.550 -99.200 -91.000 PHE 170 1.000 115.778 10.211 75.101 -99.200 -91.000 TYR 179 0.840 112.813 13.322 60.241 -99.200 -91.000 TRP 192 1.040 107.645 -4.391 81.837 -99.200 -91.000 TRP6 192 1.020 109.683 -5.505 81.446 -99.200 -91.000 HIS 203 0.900 104.955 8.568 59.424 -99.200 -91.000