============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 7 1.040 52.572 25.937 29.961 -99.200 -91.000 TRP6 7 1.020 51.525 26.289 32.002 -99.200 -91.000 TRP 14 1.040 55.367 22.181 41.394 -99.200 -91.000 TRP6 14 1.020 54.370 23.914 42.680 -99.200 -91.000 HIS 24 0.900 59.452 24.781 48.774 -99.200 -91.000 PHE 33 1.000 46.535 31.346 57.154 -99.200 -91.000 HIS 36 0.900 47.466 40.206 51.516 -99.200 -91.000 PHE 43 1.000 42.539 28.453 55.525 -99.200 -91.000 PHE 46 1.000 44.949 25.557 59.683 -99.200 -91.000 HIS 48 0.900 44.438 26.489 66.767 -99.200 -91.000 HIS 64 0.900 44.300 22.851 54.059 -99.200 -91.000 HIS 81 0.900 45.820 21.558 26.630 -99.200 -91.000 HIS 82 0.900 44.539 24.961 34.076 -99.200 -91.000 HIS 93 0.900 39.466 26.004 47.469 -99.200 -91.000 HIS 97 0.900 36.877 24.647 51.198 -99.200 -91.000 TYR 103 0.840 40.049 36.719 51.066 -99.200 -91.000 PHE 106 1.000 44.701 39.686 49.361 -99.200 -91.000 HIS 119 0.900 63.714 27.108 46.202 -99.200 -91.000 PHE 123 1.000 60.375 32.631 41.444 -99.200 -91.000 PHE 138 1.000 44.746 28.323 40.790 -99.200 -91.000 TYR 146 0.840 35.293 30.956 42.680 -99.200 -91.000 PHE 151 1.000 28.906 30.099 43.799 -99.200 -91.000