============================================================================= 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. HIS 14 0.900 5.148 24.403 12.880 -99.200 -91.000 TRP 16 1.040 6.153 28.978 22.847 -99.200 -91.000 TRP6 16 1.020 6.817 31.200 23.345 -99.200 -91.000 TRP 20 1.040 10.720 25.314 24.725 -99.200 -91.000 TRP6 20 1.020 10.103 27.211 25.993 -99.200 -91.000 TYR 24 0.840 21.643 23.307 27.787 -99.200 -91.000 PHE 36 1.000 10.063 41.794 30.795 -99.200 -91.000 PHE 40 1.000 11.314 47.358 31.453 -99.200 -91.000 PHE 50 1.000 8.189 44.540 35.024 -99.200 -91.000 PHE 63 1.000 14.557 42.121 33.704 -99.200 -91.000 HIS 66 0.900 9.841 39.352 35.680 -99.200 -91.000 HIS 93 0.900 -1.971 30.756 39.945 -99.200 -91.000 HIS 98 0.900 0.843 39.575 35.784 -99.200 -91.000 HIS 108 0.900 1.498 49.452 32.931 -99.200 -91.000 PHE 109 1.000 -1.206 42.524 31.229 -99.200 -91.000 PHE 116 1.000 6.074 38.394 24.573 -99.200 -91.000 PHE 127 1.000 5.521 36.031 14.660 -99.200 -91.000 TRP 132 1.040 2.532 36.857 18.938 -99.200 -91.000 TRP6 132 1.020 3.483 35.110 20.219 -99.200 -91.000 PHE 136 1.000 1.058 38.746 24.035 -99.200 -91.000