============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 4 1.000 5.901 28.013 24.688 -99.200 -91.000 PHE 8 1.000 -0.361 25.245 25.788 -99.200 -91.000 HIS 10 0.900 -4.406 33.641 28.932 -99.200 -91.000 PHE 25 1.000 13.808 23.082 14.667 -99.200 -91.000 HIS 29 0.900 17.200 19.979 11.320 -99.200 -91.000 PHE 44 1.000 9.191 15.620 18.548 -99.200 -91.000 TYR 49 0.840 10.002 10.172 15.664 -99.200 -91.000 TYR 60 0.840 30.437 13.072 16.787 -99.200 -91.000 PHE 61 1.000 22.475 11.484 13.747 -99.200 -91.000 HIS 65 0.900 26.650 2.149 22.264 -99.200 -91.000 PHE 67 1.000 18.496 6.559 20.981 -99.200 -91.000 PHE 68 1.000 16.471 2.220 27.661 -99.200 -91.000 PHE 74 1.000 6.809 7.301 33.944 -99.200 -91.000 PHE 83 1.000 21.770 10.167 25.582 -99.200 -91.000 PHE 85 1.000 14.083 17.581 28.913 -99.200 -91.000 TYR 116 0.840 9.436 29.637 20.410 -99.200 -91.000 PHE 119 1.000 11.905 28.233 14.702 -99.200 -91.000 TYR 122 0.840 20.488 23.332 18.361 -99.200 -91.000