============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 25 1.000 101.576 16.345 107.526 -99.200 -91.000 HIS 28 0.900 92.904 14.103 104.691 -99.200 -91.000 PHE 35 1.000 84.018 3.361 101.093 -99.200 -91.000 TYR 40 0.840 70.190 -8.438 102.084 -99.200 -91.000 TYR 58 0.840 86.691 1.044 88.070 -99.200 -91.000 TYR 66 0.840 75.346 -10.437 88.880 -99.200 -91.000 TYR 92 0.840 103.516 -9.622 85.820 -99.200 -91.000 TYR 95 0.840 92.725 -1.528 90.097 -99.200 -91.000 HIS 109 0.900 79.399 -17.007 102.065 -99.200 -91.000 PHE 111 1.000 84.481 -15.236 99.677 -99.200 -91.000 TYR 124 0.840 89.398 -14.833 113.256 -99.200 -91.000 PHE 133 1.000 100.041 -4.087 116.516 -99.200 -91.000 TYR 135 0.840 94.429 -11.845 111.056 -99.200 -91.000 TYR 142 0.840 85.139 -15.797 115.639 -99.200 -91.000 TYR 184 0.840 76.766 -1.784 105.171 -99.200 -91.000