============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 5 1.000 36.014 22.870 3.159 -99.200 -91.000 PHE 10 1.000 39.156 17.953 -0.620 -99.200 -91.000 TRP 17 1.040 37.285 15.932 9.453 -99.200 -91.000 TRP6 17 1.020 36.205 15.891 7.353 -99.200 -91.000 TRP 26 1.040 31.023 3.807 7.721 -99.200 -91.000 TRP6 26 1.020 32.078 2.540 9.417 -99.200 -91.000 HIS 37 0.900 22.258 20.172 0.470 -99.200 -91.000 PHE 42 1.000 33.086 21.005 5.995 -99.200 -91.000 TYR 58 0.840 17.036 24.117 8.542 -99.200 -91.000 HIS 61 0.900 10.654 18.833 10.847 -99.200 -91.000 TYR 66 0.840 25.740 14.431 9.734 -99.200 -91.000 TYR 67 0.840 33.273 13.658 8.415 -99.200 -91.000 HIS 71 0.900 46.361 18.933 15.892 -99.200 -91.000 PHE 74 1.000 46.184 24.350 18.062 -99.200 -91.000 TYR 112 0.840 27.313 16.288 21.408 -99.200 -91.000 TYR 117 0.840 22.944 19.406 21.505 -99.200 -91.000 HIS 119 0.900 18.786 8.429 24.944 -99.200 -91.000