============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 19 0.900 8.423 119.250 23.842 -99.200 -91.000 HIS 23 0.900 6.933 123.312 27.497 -99.200 -91.000 HIS 26 0.900 9.634 128.706 27.433 -99.200 -91.000 TRP 27 1.040 6.562 126.134 31.153 -99.200 -91.000 TRP6 27 1.020 5.961 123.830 31.157 -99.200 -91.000 TYR 28 0.840 9.578 124.943 37.399 -99.200 -91.000 PHE 34 1.000 12.252 134.735 31.816 -99.200 -91.000 TRP 37 1.040 20.555 132.596 27.473 -99.200 -91.000 TRP6 37 1.020 21.336 131.155 25.761 -99.200 -91.000 HIS 38 0.900 10.286 132.104 28.813 -99.200 -91.000 TYR 44 0.840 18.626 125.992 22.185 -99.200 -91.000 TYR 51 0.840 17.008 117.736 14.957 -99.200 -91.000 PHE 67 1.000 10.387 103.016 22.406 -99.200 -91.000 PHE 73 1.000 7.098 109.269 23.938 -99.200 -91.000 TYR 86 0.840 9.238 128.735 39.601 -99.200 -91.000 PHE 101 1.000 20.590 121.269 22.948 -99.200 -91.000 TYR 103 0.840 21.411 110.463 25.769 -99.200 -91.000 PHE 108 1.000 20.245 113.265 17.526 -99.200 -91.000 PHE 112 1.000 27.512 109.100 9.972 -99.200 -91.000 PHE 127 1.000 19.931 108.601 14.005 -99.200 -91.000 HIS 137 0.900 21.307 124.843 18.414 -99.200 -91.000 TRP 139 1.040 30.680 128.302 19.108 -99.200 -91.000 TRP6 139 1.020 29.605 129.204 17.189 -99.200 -91.000