============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 25 1.000 64.253 -27.084 44.669 -99.200 -91.000 TYR 48 0.840 66.286 -39.396 49.245 -99.200 -91.000 PHE 67 1.000 66.138 -21.996 58.636 -99.200 -91.000 PHE 78 1.000 58.986 -24.307 46.273 -99.200 -91.000 PHE 83 1.000 43.812 -26.609 56.421 -99.200 -91.000 HIS 85 0.900 37.746 -23.815 55.626 -99.200 -91.000 HIS 86 0.900 34.753 -28.704 50.942 -99.200 -91.000 TRP 97 1.040 39.717 -14.389 56.970 -99.200 -91.000 TRP6 97 1.020 38.895 -14.570 54.754 -99.200 -91.000 PHE 99 1.000 45.532 -23.682 60.610 -99.200 -91.000 TYR 109 0.840 55.474 -9.533 57.228 -99.200 -91.000 PHE 115 1.000 66.001 -17.524 55.790 -99.200 -91.000 TYR 146 0.840 44.222 -23.317 48.458 -99.200 -91.000 PHE 164 1.000 63.102 -5.476 48.061 -99.200 -91.000 PHE 201 1.000 39.084 -32.790 44.954 -99.200 -91.000 PHE 210 1.000 43.177 -36.057 41.001 -99.200 -91.000 TYR 222 0.840 62.431 -22.483 33.288 -99.200 -91.000 TYR 230 0.840 65.419 -10.745 30.273 -99.200 -91.000 TRP 242 1.040 40.227 -26.320 37.120 -99.200 -91.000 TRP6 242 1.020 41.014 -26.178 39.364 -99.200 -91.000