============================================================================= 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 18 0.900 32.451 -4.949 58.701 -99.200 -91.000 HIS 31 0.900 49.998 -5.554 41.813 -99.200 -91.000 TYR 52 0.840 46.775 -19.071 45.116 -99.200 -91.000 HIS 68 0.900 42.534 -14.922 42.731 -99.200 -91.000 TRP 76 1.040 40.807 -18.734 36.034 -99.200 -91.000 TRP6 76 1.020 41.313 -19.705 33.917 -99.200 -91.000 PHE 86 1.000 51.418 -23.896 46.366 -99.200 -91.000 TYR 120 0.840 35.110 -25.824 42.577 -99.200 -91.000 TRP 132 1.040 21.996 -5.818 36.356 -99.200 -91.000 TRP6 132 1.020 20.893 -7.094 38.023 -99.200 -91.000 TYR 134 0.840 24.354 5.760 37.440 -99.200 -91.000 HIS 136 0.900 28.366 11.530 36.826 -99.200 -91.000 TRP 142 1.040 35.842 4.291 24.458 -99.200 -91.000 TRP6 142 1.020 37.731 5.519 23.674 -99.200 -91.000 PHE 162 1.000 31.966 -9.863 33.602 -99.200 -91.000 PHE 177 1.000 20.628 4.991 41.223 -99.200 -91.000 PHE 193 1.000 24.381 -10.391 50.194 -99.200 -91.000 PHE 221 1.000 18.143 -4.621 50.368 -99.200 -91.000 HIS 232 0.900 40.610 0.116 34.516 -99.200 -91.000 PHE 244 1.000 18.711 -11.919 41.723 -99.200 -91.000