============================================================================= 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 3 1.000 13.786 55.406 5.556 -99.200 -91.000 HIS 4 0.900 16.897 50.367 14.233 -99.200 -91.000 TRP 16 1.040 4.188 43.971 17.728 -99.200 -91.000 TRP6 16 1.020 4.674 41.647 17.800 -99.200 -91.000 PHE 51 1.000 14.463 47.028 -0.447 -99.200 -91.000 PHE 61 1.000 14.797 40.663 -3.248 -99.200 -91.000 HIS 62 0.900 21.024 41.020 -6.263 -99.200 -91.000 PHE 68 1.000 13.819 36.546 5.917 -99.200 -91.000 TYR 71 0.840 21.092 39.427 9.820 -99.200 -91.000 TYR 85 0.840 7.330 38.543 10.888 -99.200 -91.000 TYR 93 0.840 3.474 44.750 -0.347 -99.200 -91.000 PHE 96 1.000 12.817 45.223 -5.952 -99.200 -91.000 PHE 97 1.000 10.243 43.731 -1.878 -99.200 -91.000 PHE 101 1.000 14.595 37.998 -9.815 -99.200 -91.000 TYR 114 0.840 9.168 50.588 7.231 -99.200 -91.000 PHE 122 1.000 -1.047 48.389 3.584 -99.200 -91.000 TRP 124 1.040 2.160 42.206 11.219 -99.200 -91.000 TRP6 124 1.020 4.359 42.115 12.027 -99.200 -91.000