============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 7 1.000 52.842 20.528 62.256 -99.200 -91.000 PHE 27 1.000 45.902 28.740 65.759 -99.200 -91.000 PHE 32 1.000 48.472 31.832 70.633 -99.200 -91.000 PHE 39 1.000 48.726 24.169 49.625 -99.200 -91.000 HIS 46 0.900 56.541 14.534 56.867 -99.200 -91.000 HIS 50 0.900 51.595 14.813 62.595 -99.200 -91.000 TYR 51 0.840 47.957 11.857 62.513 -99.200 -91.000 PHE 59 1.000 42.090 6.127 64.991 -99.200 -91.000 PHE 60 1.000 49.010 4.510 61.133 -99.200 -91.000 TYR 66 0.840 41.398 13.203 56.544 -99.200 -91.000 TRP 77 1.040 50.037 29.369 64.021 -99.200 -91.000 TRP6 77 1.020 49.534 31.629 63.459 -99.200 -91.000 PHE 107 1.000 34.624 27.453 60.570 -99.200 -91.000 HIS 117 0.900 48.457 17.462 64.906 -99.200 -91.000 TRP 132 1.040 54.683 17.700 60.084 -99.200 -91.000 TRP6 132 1.020 53.265 17.507 58.189 -99.200 -91.000 PHE 133 1.000 57.146 23.993 59.295 -99.200 -91.000 TYR 141 0.840 57.795 37.435 62.239 -99.200 -91.000 HIS 146 0.900 56.334 40.299 72.803 -99.200 -91.000 TRP 148 1.040 50.643 48.176 71.824 -99.200 -91.000 TRP6 148 1.020 50.093 49.627 73.616 -99.200 -91.000 TYR 150 0.840 53.014 37.583 74.779 -99.200 -91.000