============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 2 1.000 11.130 15.649 10.069 -99.200 -91.000 TYR 16 0.840 16.804 9.794 21.661 -99.200 -91.000 PHE 21 1.000 6.982 -0.895 20.506 -99.200 -91.000 PHE 24 1.000 2.023 2.695 19.669 -99.200 -91.000 TYR 28 0.840 -2.526 6.262 22.024 -99.200 -91.000 TYR 34 0.840 -2.702 -4.007 16.550 -99.200 -91.000 PHE 35 1.000 4.072 -4.187 18.378 -99.200 -91.000 TYR 38 0.840 7.864 -7.253 21.870 -99.200 -91.000 PHE 52 1.000 11.283 -3.737 23.696 -99.200 -91.000 HIS 55 0.900 12.130 -8.580 15.268 -99.200 -91.000 PHE 60 1.000 10.643 4.231 17.035 -99.200 -91.000 HIS 89 0.900 3.630 -1.962 9.138 -99.200 -91.000 PHE 97 1.000 1.280 2.802 10.369 -99.200 -91.000 PHE 101 1.000 4.645 9.210 13.057 -99.200 -91.000 TYR 107 0.840 10.770 10.143 24.340 -99.200 -91.000 PHE 115 1.000 13.747 14.967 20.496 -99.200 -91.000 TRP 120 1.040 10.094 14.861 14.736 -99.200 -91.000 TRP6 120 1.020 10.767 12.981 13.473 -99.200 -91.000 PHE 123 1.000 7.583 11.671 8.880 -99.200 -91.000