============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 6 1.000 24.049 80.840 32.046 -99.200 -91.000 PHE 10 1.000 24.434 75.896 32.095 -99.200 -91.000 PHE 14 1.000 29.591 77.152 22.171 -99.200 -91.000 HIS 16 0.900 40.444 75.044 27.452 -99.200 -91.000 PHE 19 1.000 33.958 84.437 23.923 -99.200 -91.000 TYR 25 0.840 23.558 85.399 34.933 -99.200 -91.000 HIS 40 0.900 22.846 73.965 20.845 -99.200 -91.000 PHE 47 1.000 30.623 79.309 17.810 -99.200 -91.000 HIS 62 0.900 35.990 71.406 20.393 -99.200 -91.000 HIS 86 0.900 43.989 55.457 20.975 -99.200 -91.000 PHE 89 1.000 41.036 58.466 14.873 -99.200 -91.000 TYR 96 0.840 41.149 70.133 9.900 -99.200 -91.000 PHE 100 1.000 41.587 73.209 6.421 -99.200 -91.000 PHE 102 1.000 40.093 75.847 11.852 -99.200 -91.000 PHE 104 1.000 38.644 65.974 11.463 -99.200 -91.000 HIS 114 0.900 36.614 51.762 8.407 -99.200 -91.000 PHE 120 1.000 42.834 64.228 7.425 -99.200 -91.000 PHE 132 1.000 35.608 80.498 10.940 -99.200 -91.000 TRP 144 1.040 21.970 68.333 20.950 -99.200 -91.000 TRP6 144 1.020 20.080 69.153 22.065 -99.200 -91.000