============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 11 0.840 48.551 65.777 50.852 -99.200 -91.000 PHE 31 1.000 51.971 79.248 57.686 -99.200 -91.000 TRP 33 1.040 43.868 78.145 57.449 -99.200 -91.000 TRP6 33 1.020 44.061 76.314 55.941 -99.200 -91.000 PHE 46 1.000 59.865 69.601 66.306 -99.200 -91.000 PHE 49 1.000 56.806 76.973 61.193 -99.200 -91.000 TYR 52 0.840 52.572 81.670 61.565 -99.200 -91.000 PHE 81 1.000 53.190 69.439 73.830 -99.200 -91.000 PHE 83 1.000 55.228 72.993 69.387 -99.200 -91.000 HIS 90 0.900 66.227 67.945 71.735 -99.200 -91.000 PHE 101 1.000 46.930 66.381 60.651 -99.200 -91.000 TYR 105 0.840 45.723 78.198 65.548 -99.200 -91.000 HIS 110 0.900 42.918 82.186 59.999 -99.200 -91.000 TRP 116 1.040 44.489 63.235 66.101 -99.200 -91.000 TRP6 116 1.020 44.869 62.267 63.984 -99.200 -91.000 TRP 125 1.040 31.314 68.217 62.959 -99.200 -91.000 TRP6 125 1.020 32.636 66.667 61.750 -99.200 -91.000 HIS 126 0.900 23.686 68.962 62.839 -99.200 -91.000 PHE 135 1.000 45.925 63.229 57.660 -99.200 -91.000 HIS 156 0.900 49.206 59.559 55.609 -99.200 -91.000 HIS 169 0.900 23.906 66.172 59.857 -99.200 -91.000 TRP 170 1.040 30.925 69.461 58.240 -99.200 -91.000 TRP6 170 1.020 31.748 69.437 56.027 -99.200 -91.000 HIS 175 0.900 32.848 49.702 53.120 -99.200 -91.000 TRP 179 1.040 42.350 56.075 65.248 -99.200 -91.000 TRP6 179 1.020 41.438 57.347 67.009 -99.200 -91.000