============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. HIS 5 0.900 21.969 15.111 49.658 -99.200 -91.000 HIS 10 0.900 36.817 8.990 51.923 -99.200 -91.000 TYR 14 0.840 27.701 1.624 52.049 -99.200 -91.000 HIS 27 0.900 31.359 5.362 38.428 -99.200 -91.000 PHE 28 1.000 32.582 0.056 33.673 -99.200 -91.000 HIS 35 0.900 33.513 -12.065 51.911 -99.200 -91.000 PHE 38 1.000 32.826 -12.982 46.370 -99.200 -91.000 HIS 44 0.900 22.963 -2.341 34.028 -99.200 -91.000 HIS 61 0.900 33.163 12.650 48.459 -99.200 -91.000 HIS 72 0.900 42.756 2.322 42.247 -99.200 -91.000 PHE 73 1.000 40.749 -4.208 46.236 -99.200 -91.000 PHE 79 1.000 31.599 -16.432 41.726 -99.200 -91.000 TYR 83 0.840 21.468 -9.151 32.523 -99.200 -91.000 HIS 121 0.900 3.857 3.306 47.259 -99.200 -91.000 TRP 130 1.040 31.675 8.879 42.399 -99.200 -91.000 TRP6 130 1.020 31.990 6.863 43.595 -99.200 -91.000 HIS 136 0.900 21.705 20.690 33.277 -99.200 -91.000 PHE 153 1.000 4.726 6.050 40.245 -99.200 -91.000 PHE 154 1.000 5.003 2.709 33.817 -99.200 -91.000 HIS 158 0.900 13.125 -9.752 38.538 -99.200 -91.000 PHE 163 1.000 8.170 9.902 40.901 -99.200 -91.000 PHE 172 1.000 21.590 7.142 30.940 -99.200 -91.000 PHE 191 1.000 14.276 -1.536 34.308 -99.200 -91.000 TRP 194 1.040 12.551 9.853 27.269 -99.200 -91.000 TRP6 194 1.020 12.410 9.346 24.954 -99.200 -91.000 PHE 201 1.000 8.055 6.689 31.879 -99.200 -91.000 PHE 204 1.000 11.167 0.014 36.589 -99.200 -91.000 PHE 205 1.000 17.495 1.907 42.657 -99.200 -91.000 TYR 211 0.840 18.205 -11.724 42.514 -99.200 -91.000 TRP 214 1.040 23.746 -16.908 43.190 -99.200 -91.000 TRP6 214 1.020 24.450 -14.766 42.541 -99.200 -91.000