============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 12 1.000 -4.755 9.020 40.144 -99.200 -91.000 TYR 17 0.840 -0.861 12.258 42.861 -99.200 -91.000 PHE 18 1.000 -4.568 15.368 41.275 -99.200 -91.000 TRP 23 1.040 2.001 13.254 46.161 -99.200 -91.000 TRP6 23 1.020 2.167 11.012 46.884 -99.200 -91.000 TYR 24 0.840 8.539 16.135 50.957 -99.200 -91.000 TYR 28 0.840 16.637 13.220 38.744 -99.200 -91.000 TYR 40 0.840 16.614 20.707 39.774 -99.200 -91.000 TYR 58 0.840 11.678 24.190 46.523 -99.200 -91.000 HIS 59 0.900 11.390 22.072 39.051 -99.200 -91.000 TYR 60 0.840 18.020 24.898 46.703 -99.200 -91.000 PHE 68 1.000 12.537 26.312 38.455 -99.200 -91.000 TYR 69 0.840 8.414 27.852 46.072 -99.200 -91.000 TYR 82 0.840 -4.921 14.511 36.100 -99.200 -91.000 PHE 86 1.000 5.291 25.899 32.712 -99.200 -91.000 TYR 104 0.840 1.705 21.589 26.624 -99.200 -91.000 TYR 105 0.840 3.213 20.296 35.004 -99.200 -91.000 PHE 107 1.000 1.909 14.921 37.866 -99.200 -91.000 TYR 111 0.840 1.873 1.984 43.127 -99.200 -91.000 HIS 120 0.900 5.779 10.761 30.725 -99.200 -91.000 HIS 124 0.900 5.163 19.559 25.501 -99.200 -91.000 TYR 134 0.840 9.141 7.296 32.629 -99.200 -91.000 PHE 160 1.000 14.475 2.865 42.415 -99.200 -91.000 PHE 163 1.000 13.234 5.759 37.870 -99.200 -91.000 TYR 173 0.840 12.248 19.126 49.628 -99.200 -91.000