============================================================================= 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 3 1.000 60.200 9.508 27.499 -99.200 -91.000 HIS 15 0.900 60.523 18.374 25.649 -99.200 -91.000 TYR 20 0.840 67.575 22.733 16.813 -99.200 -91.000 TYR 23 0.840 70.504 16.810 11.457 -99.200 -91.000 TRP 28 1.040 66.180 15.035 16.080 -99.200 -91.000 TRP6 28 1.020 68.232 15.838 16.931 -99.200 -91.000 PHE 34 1.000 69.721 1.469 15.881 -99.200 -91.000 PHE 38 1.000 63.073 4.086 21.750 -99.200 -91.000 TYR 53 0.840 76.482 11.176 33.295 -99.200 -91.000 TRP 62 1.040 85.006 16.861 24.274 -99.200 -91.000 TRP6 62 1.020 86.074 18.456 22.895 -99.200 -91.000 TRP 63 1.040 78.905 17.183 24.078 -99.200 -91.000 TRP6 63 1.020 78.775 19.101 22.696 -99.200 -91.000 TRP 108 1.040 74.158 11.791 19.790 -99.200 -91.000 TRP6 108 1.020 73.400 13.933 19.135 -99.200 -91.000 TRP 111 1.040 71.711 10.120 13.035 -99.200 -91.000 TRP6 111 1.020 73.010 11.260 11.417 -99.200 -91.000 TRP 123 1.040 63.844 4.488 13.421 -99.200 -91.000 TRP6 123 1.020 64.023 2.917 15.172 -99.200 -91.000