============================================================================= 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 5 1.000 57.336 -19.525 -8.168 -99.200 -91.000 HIS 6 0.900 58.925 -14.100 -1.807 -99.200 -91.000 PHE 8 1.000 59.462 -17.983 1.985 -99.200 -91.000 PHE 10 1.000 64.572 -26.073 9.206 -99.200 -91.000 TYR 11 0.840 68.158 -22.072 11.673 -99.200 -91.000 PHE 20 1.000 59.258 -26.136 10.851 -99.200 -91.000 PHE 31 1.000 55.860 -35.434 -0.809 -99.200 -91.000 TYR 35 0.840 54.254 -28.157 11.006 -99.200 -91.000 TYR 38 0.840 50.362 -15.459 11.311 -99.200 -91.000 PHE 57 1.000 62.326 -28.631 -1.828 -99.200 -91.000 HIS 69 0.900 42.824 -22.103 -13.634 -99.200 -91.000 PHE 78 1.000 61.742 -22.355 -4.044 -99.200 -91.000 TYR 89 0.840 52.334 -25.376 -0.735 -99.200 -91.000 TYR 91 0.840 45.451 -19.308 6.486 -99.200 -91.000 TRP 112 1.040 22.261 -26.715 -4.832 -99.200 -91.000 TRP6 112 1.020 23.487 -28.737 -4.935 -99.200 -91.000 HIS 113 0.900 24.990 -18.963 -5.094 -99.200 -91.000 PHE 128 1.000 46.490 -23.956 -15.998 -99.200 -91.000 HIS 130 0.900 42.549 -34.087 -16.134 -99.200 -91.000 HIS 133 0.900 49.389 -31.795 -22.720 -99.200 -91.000 HIS 134 0.900 51.596 -30.774 -15.284 -99.200 -91.000 HIS 136 0.900 45.576 -33.363 -7.195 -99.200 -91.000 PHE 150 1.000 33.532 -19.655 2.341 -99.200 -91.000 PHE 157 1.000 48.565 -28.738 -7.330 -99.200 -91.000 TYR 174 0.840 37.829 -38.778 -1.611 -99.200 -91.000 TYR 191 0.840 35.408 -44.146 -9.718 -99.200 -91.000 PHE 193 1.000 34.818 -32.467 -9.937 -99.200 -91.000 HIS 210 0.900 31.856 -49.148 12.624 -99.200 -91.000 TYR 233 0.840 22.046 -41.913 0.439 -99.200 -91.000 TYR 250 0.840 23.006 -39.633 -8.473 -99.200 -91.000 HIS 258 0.900 29.740 -45.685 -17.451 -99.200 -91.000