============================================================================= 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 2.502 116.985 21.660 -99.200 -91.000 HIS 23 0.900 3.892 113.436 17.707 -99.200 -91.000 HIS 26 0.900 1.183 113.290 12.469 -99.200 -91.000 TRP 27 1.040 4.399 109.707 14.840 -99.200 -91.000 TRP6 27 1.020 5.145 109.807 17.093 -99.200 -91.000 TYR 28 0.840 1.733 103.263 16.267 -99.200 -91.000 PHE 34 1.000 -1.604 108.824 6.518 -99.200 -91.000 TRP 37 1.040 -9.964 112.876 8.973 -99.200 -91.000 TRP6 37 1.020 -10.762 114.537 10.459 -99.200 -91.000 HIS 38 0.900 0.427 111.879 9.078 -99.200 -91.000 TYR 44 0.840 -8.007 118.248 15.400 -99.200 -91.000 TYR 51 0.840 -6.363 125.650 23.592 -99.200 -91.000 PHE 67 1.000 1.151 118.436 38.192 -99.200 -91.000 PHE 73 1.000 4.297 117.067 31.746 -99.200 -91.000 TYR 86 0.840 1.873 101.114 12.479 -99.200 -91.000 PHE 101 1.000 -9.723 117.434 20.209 -99.200 -91.000 TYR 103 0.840 -10.078 114.867 31.107 -99.200 -91.000 PHE 108 1.000 -9.355 123.030 28.098 -99.200 -91.000 PHE 112 1.000 -16.602 130.322 32.555 -99.200 -91.000 PHE 127 1.000 -8.847 126.619 32.893 -99.200 -91.000 HIS 137 0.900 -10.661 122.104 16.639 -99.200 -91.000 TRP 139 1.040 -20.126 121.108 13.539 -99.200 -91.000 TRP6 139 1.020 -19.088 123.028 12.621 -99.200 -91.000