============================================================================= 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 8 1.000 22.172 2.025 -5.078 -99.200 -91.000 PHE 29 1.000 20.453 -0.342 8.614 -99.200 -91.000 PHE 32 1.000 23.556 6.859 0.346 -99.200 -91.000 TRP 33 1.040 30.024 3.026 4.502 -99.200 -91.000 TRP6 33 1.020 32.293 2.689 5.085 -99.200 -91.000 TRP 36 1.040 34.616 10.951 6.157 -99.200 -91.000 TRP6 36 1.020 32.745 12.175 6.953 -99.200 -91.000 PHE 44 1.000 30.218 0.299 8.379 -99.200 -91.000 TYR 46 0.840 26.348 -0.844 18.277 -99.200 -91.000 TYR 51 0.840 24.056 -9.189 6.112 -99.200 -91.000 HIS 53 0.900 17.042 -12.107 13.527 -99.200 -91.000 PHE 54 1.000 16.643 -8.074 11.633 -99.200 -91.000 HIS 74 0.900 39.968 -5.645 2.207 -99.200 -91.000 PHE 76 1.000 35.187 2.301 9.229 -99.200 -91.000 TYR 80 0.840 36.038 0.321 13.312 -99.200 -91.000 PHE 84 1.000 28.027 -4.057 7.188 -99.200 -91.000 TYR 98 0.840 18.985 6.673 -2.474 -99.200 -91.000 PHE 107 1.000 18.269 7.954 2.157 -99.200 -91.000 HIS 129 0.900 15.949 -6.874 16.688 -99.200 -91.000 TYR 131 0.840 15.923 2.898 13.259 -99.200 -91.000