============================================================================= 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 7 1.000 46.511 80.587 30.647 -99.200 -91.000 HIS 28 0.900 49.940 68.548 20.434 -99.200 -91.000 PHE 29 1.000 46.283 74.856 23.057 -99.200 -91.000 TRP 30 1.040 45.863 66.589 23.120 -99.200 -91.000 TRP6 30 1.020 44.635 64.680 23.798 -99.200 -91.000 TRP 33 1.040 36.785 65.044 18.209 -99.200 -91.000 TRP6 33 1.020 36.780 66.421 16.293 -99.200 -91.000 PHE 44 1.000 53.228 66.417 20.842 -99.200 -91.000 PHE 47 1.000 59.568 65.992 23.419 -99.200 -91.000 TYR 48 0.840 56.310 62.563 29.762 -99.200 -91.000 HIS 51 0.900 63.301 64.385 30.860 -99.200 -91.000 PHE 76 1.000 42.398 59.159 22.603 -99.200 -91.000 PHE 84 1.000 51.108 62.874 25.825 -99.200 -91.000 TYR 97 0.840 48.876 80.165 24.702 -99.200 -91.000 HIS 98 0.900 44.710 85.151 19.944 -99.200 -91.000 PHE 106 1.000 50.716 78.100 20.111 -99.200 -91.000 TRP 129 1.040 60.037 73.299 17.749 -99.200 -91.000 TRP6 129 1.020 57.740 73.574 18.180 -99.200 -91.000