============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 7 1.040 33.663 15.407 -9.355 -99.200 -91.000 TRP6 7 1.020 33.681 14.299 -7.269 -99.200 -91.000 HIS 12 0.900 38.698 27.170 -3.651 -99.200 -91.000 TRP 14 1.040 39.694 17.151 1.363 -99.200 -91.000 TRP6 14 1.020 38.114 16.459 2.981 -99.200 -91.000 HIS 24 0.900 39.589 21.629 9.038 -99.200 -91.000 TRP 29 1.040 36.973 11.585 15.127 -99.200 -91.000 TRP6 29 1.020 35.673 10.046 13.894 -99.200 -91.000 PHE 33 1.000 32.483 9.745 18.612 -99.200 -91.000 HIS 36 0.900 22.960 11.918 15.029 -99.200 -91.000 PHE 43 1.000 34.209 4.900 16.387 -99.200 -91.000 PHE 46 1.000 38.794 6.355 19.595 -99.200 -91.000 HIS 48 0.900 38.136 5.552 27.015 -99.200 -91.000 HIS 64 0.900 39.455 6.309 13.907 -99.200 -91.000 HIS 81 0.900 36.698 8.167 -13.047 -99.200 -91.000 HIS 82 0.900 33.950 6.650 -5.385 -99.200 -91.000 HIS 93 0.900 34.481 1.393 7.937 -99.200 -91.000 HIS 97 0.900 35.729 -1.374 11.467 -99.200 -91.000 TYR 103 0.840 25.172 4.160 13.846 -99.200 -91.000 PHE 106 1.000 22.557 9.295 12.541 -99.200 -91.000 HIS 113 0.900 27.571 22.252 12.812 -99.200 -91.000 HIS 116 0.900 26.985 27.110 7.593 -99.200 -91.000 HIS 119 0.900 37.451 25.893 6.145 -99.200 -91.000 PHE 123 1.000 30.337 23.529 2.891 -99.200 -91.000 PHE 138 1.000 31.941 7.361 1.564 -99.200 -91.000 TYR 146 0.840 27.931 -1.186 4.397 -99.200 -91.000 TYR 151 0.840 25.990 -4.368 7.688 -99.200 -91.000